Results for:
Species: Coriolus versicolor

Signature

Oct-1-en-3-ol

Mass-Spectra

Compound Details

Synonymous names

Pentylvinylcarbinol

Amylvinylcarbinol

Flowtron mosquito attractant

VSMOENVRRABVKN-UHFFFAOYSA-N

Matsutake alcohol

Morillol

Matsuica alcohol

Matsuika alcohol

Mushroom alcohol

Vinyl hexanol

Vinyl pentyl carbinol

Pentyl vinyl carbinol

Vinyl amyl carbinol

Amyl vinyl carbinol

1-Vinylhexanol

AC1L2CVX

ACMC-20apfw

Matsutake alcohol [Japanese]

ACMC-1CNY7

KSC223I9P

Octen-3-ol

SCHEMBL41968

CTK1C3497

O0159

ACT05316

NSC87563

3-Hydroxy-1-octene

C14272

CCRIS 8804

OR020369

DTXSID3035214

Jsp006175

LP030603

LS-3002

WLN: QY5&1U1

CHEMBL3183573

AK164470

1-Octene-3-ol

octene-1-ol-3

CHEBI:34118

AN-18986

1-Okten-3-ol

NSC-87563

NSC 87563

SC-18002

ANW-27735

TRA0097596

DSSTox_GSID_35214

1-OCTEN-3-OL

1 Octen 3 OL

DSSTox_CID_15214

LMFA05000090

DSSTox_RID_79250

MFCD00004589

RTC-020285

DB-003193

AI3-28627

TC-020285

I14-1194

Q-100412

1-Octen-3-ol, analytical standard

EPA Pesticide Chemical Code 069037

AKOS009157412

Oct-1-ene-3-ol

I14-1157

1 -Octen-3-ol

Oct-1-en-3-ol

FEMA No. 2805

FT-0608181

BRN 1744110

Nat. 1-Octen-3-ol

Tox21_302039

n-Oct-1-en-3-ol

1-Octen-3-ol (natural)

NCGC00255686-01

1-Okten-3-ol [Czech]

3191-86-4

3391-86-4

EINECS 222-226-0

1-Octen-3-ol, 98%

50999-79-6

CAS-3391-86-4

MolPort-001-782-881

1-Octen-3-ol, natural, >=95%, FG

1-Octen-3-ol, 98% 10g

1-Octen-3-ol, >=98%, FCC, FG

Microorganism:

Yes

IUPAC name

oct-1-en-3-ol

SMILES

CCCCCC(C=C)O

Inchi

InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3

Formula

C₈H₁₆O

PubChem ID

18827

Molweight

128.215

LogP

2.49

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Alcohols alkenes

mVOC Specific Details

MS-Links

1D-NMR-Links

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a		Hoeckelmann et al., 2004
Bacteria	Carnobacterium Divergens 9P	n/a		Ercolini et al., 2009
Bacteria	Cyanobacteria	n/a		Hoeckelmann et al., 2004
Bacteria	Pseudomonas Fragi 25P	n/a		Ercolini et al., 2009
Bacteria	Serratia Proteamaculans 42M	n/a		Ercolini et al., 2009
Fungi		n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi		None	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Agaricus Bisporus	n/a		Berendsen et al., 2013
Fungi	Agaricus Bisporus A15		Sylvan, UK	Combet et al. 2009
Fungi	Armillaria Mellea	n/a		Mueller et al., 2013
Fungi	Ascocoryne Sarcoides NRRL 50072	n/a		Mallette et al. 2012
Fungi	Aspergillus Candidus		compost	Fischer et al. 2056
Fungi	Aspergillus Flavus	n/a		Stotzky and Schenk, 1976
Fungi	Aspergillus Flavus NRRL 18543	n/a		Beck et al., 2012
Fungi	Aspergillus Flavus NRRL 25347	n/a		Beck et al., 2012
Fungi	Aspergillus Flavus NRRL 3357		Japan Collection of Microorganisms at Riken Bioresource Center	Miyamoto et al. 2014
Fungi	Aspergillus Niger	n/a		Meruva et al., 2004
Fungi	Aspergillus Niger NRRL 326	n/a		Beck et al., 2012
Fungi	Aspergillus Ornatus	n/a		Meruva et al., 2004
Fungi	Aspergillus Parasiticus NRRL 5862	n/a		Beck et al., 2012
Fungi	Aspergillus Sydowii	na	na	Steiner et al., 2007
Fungi	Aspergillus Ustus			Polizzi et al., 2012
Fungi	Aspergillus Versicolor	na	na	Steiner et al., 2007
Fungi	Aspergillus Versicolor Tiraboschi	na	damp indoor environments, food products	Sunesson et al., 1995
Fungi	Aspergillus Vesicolor		compost	Fischer et al. 2056
Fungi	Boletus Edulis			Zawirksa-Wojtasiak 2004
Fungi	Coriolus Versicolor		colonized beetle	Guevara et al 2000
Fungi	Emericella Nidulans		compost	Fischer et al. 2056
Fungi	Fistulina Hepatica			Wu et al. 2005
Fungi	Fomes Fomentarius			FÃ¤ldt et al. 1999
Fungi	Fomitopsis Pinicola	na	Germany	RÃ¶secke et al., 2000
Fungi	Fusarium Spp.			Savelâ€™eva et al. 2014
Fungi	Ganoderma Adspersum		colonized beetle	Guevara et al 2000
Fungi	Gleophyllum Odoratum	na	Sachsenwald near Hamburg	RÃ¶secke et al., 2000
Fungi	Laccaria Bicolor	n/a		Mueller et al., 2013
Fungi	Lentinus Edodes			Zawirksa-Wojtasiak 2004
Fungi	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al 1991
Fungi	Neurospora Sitophila ATCC 46892	n/a		Pastore et al.,1994
Fungi	Neurospora Sp.	n/a		Pastore et al., 1994
Fungi	Paxillus Involutus MAJ	n/a		Mueller et al., 2013
Fungi	Paxillus Involutus NAU	n/a		Mueller et al., 2013
Fungi	Pencillium Chrysogenum	None	None	Meruva et al., 2004
Fungi	Penicillium Aurantiogriseum	n/a		Boerjesson et al., 1990
Fungi	Penicillium Brevicompactum		compost	Fischer et al. 2056
Fungi	Penicillium Chrysogenum	n/a		Meruva et al., 2004
Fungi	Penicillium Glabrum NRRL 766	n/a		Beck et al., 2012
Fungi	Penicillium Paneum (Conidia)	n/a		Chitarra et al., 2004
Fungi	Penicillium Polonicum			Polizzi et al., 2012
Fungi	Penicillium Spp			Kaminski et al. 1974
Fungi	Phialophora Fastigiata Conant	na	na	Sunesson et al., 1995
Fungi	Pholiota Squarrosa	n/a		Mueller et al., 2013
Fungi	Piptoporus Betulinus	na	Sachsenwald near Hamburg	RÃ¶secke et al., 2000
Fungi	Pleurotus Cystidiosus	na	na	Usami et al., 2014
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	na	Usami et al., 2014
Fungi	Pleurotus Ostreatus			Beltran-Garcia et al. 1997
Fungi	Rhizoctonia Solani AG2-2 IIIB		collection of the Sugar Beet Research Institute, Bergen op Zoom, The Netherlands	Cordovez et al. 2017
Fungi	Rhizopus Stolonifer	n/a		Meruva et al., 2004
Fungi	Rhizopus Stolonifer NRRL 54667	n/a		Beck et al., 2012
Fungi	Stropharia Rugosoannulata	n/a		Mueller et al., 2013
Fungi	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	RÃ¶secke et al., 2000
Fungi	Trichoderma Atroviride	n/a		Crutcher et al., 2013
Fungi	Trichoderma Atroviride ATCC 74058	n/a		Stoppacher et al., 2010
Fungi	Trichoderma Reesei	n/a		Crutcher et al., 2013
Fungi	Trichoderma Spp			Nemcovic et al. 2008
Fungi	Trichoderma Virens	n/a		Crutcher et al., 2013
Fungi	Trichoderma Viride	n/a		Mueller et al., 2013
Fungi	Tricholoma Matsutake			Murahashi S. 1938
Fungi	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al., 2003
Fungi	Tuber Borchii	Inhibit the development of Arabidopsis thaliana and modify its oxidative metabolism		Splivallo et al., 2007
Fungi	Tuber Brumale	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al., 2004
Fungi	Tuber Indicum	n/a		Splivallo et al., 2007
Fungi	Tuber Indicum AM406672		Piedmont northern Italy; Yunnan and Sichuan, China	Splivallo et al. 2007
Fungi	Tuber Melanosporum	n/a		Splivallo et al., 2007
Fungi	Tuber Uncinatum	n/a	France, Italy, Switzerland, the UK, Austria, Romania, and Hungary	Splivallo et al., 2012
Fungi	Verticillium Longisporum	n/a		Mueller et al., 2013
Fungi	Verticilliumspp.			Bengtsson et al 1991
Fungi	Aspergillus Versicolor			Schleibinger et al.,2005
Fungi	Chaetomium Globosum			Schleibinger et al.,2005
Fungi	Eurotium Amstelodami			Schleibinger et al.,2005
Fungi	Penicillium Brevicompactum			Schleibinger et al.,2005
Fungi	Penicillium Sp.	n/a		Bjurman et al., 1997
Fungi	Tuber Borchii	Aroma active compound in Tuber melanosporum, Tuber aestivum syn Tuber uncinatum, Tuber himalayense, Tuber indicum and Tuber sinense	na	Splivallo and Ebeler 2015
Fungi	Fusarium Graminearum 15AcDON	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON 1001ta	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON ZFR 29	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_4	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_8	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 15AcDON_9	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1002t	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 11791	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 1509	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON 8046	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL38369	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON NRRL6394	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 15	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 37	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum 3AcDON ZFR 51	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV 357	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 119	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 23	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV ZFR 48	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_5	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_6	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_7	n/a		Busko et al., 2014
Fungi	Fusarium Graminearum NIV_8	n/a		Busko et al., 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Bacteria	Biofilms A (Rivularia Sp./Calothrix Parietina Community)	n/a	n/a
Bacteria	Carnobacterium Divergens 9P	n/a	n/a
Bacteria	Cyanobacteria	n/a	n/a
Bacteria	Pseudomonas Fragi 25P	n/a	n/a
Bacteria	Serratia Proteamaculans 42M	n/a	n/a
Fungi		n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi		None	microextractionâ€“gas chromatographyâ€“mass spectrometry analysis (SPMEâ€“GCâ€“MS)	No
Fungi	Agaricus Bisporus
Fungi	Agaricus Bisporus A15	comkposted wheat straw	GC-MS / SPME	yes
Fungi	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Ascocoryne Sarcoides NRRL 50072	Minimal medium	PTR-MS and SPME GC-MS
Fungi	Aspergillus Candidus	yest extract sucrose	Tenax/GC-MS	no
Fungi	Aspergillus Flavus	n/a	n/a
Fungi	Aspergillus Flavus NRRL 18543	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Flavus NRRL 25347	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Flavus NRRL 3357	glucose minimal medium	SPME; GC-MS	no
Fungi	Aspergillus Niger	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Aspergillus Niger NRRL 326	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Ornatus	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Aspergillus Parasiticus NRRL 5862	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Aspergillus Sydowii	na	GC/MS	No
Fungi	Aspergillus Ustus	malt extract agar (MEA), wallpaper, plasterboard	SPME/GC-MS
Fungi	Aspergillus Versicolor	na	GC/MS	No
Fungi	Aspergillus Versicolor Tiraboschi	DG18	GC/MS
Fungi	Aspergillus Vesicolor	yest extract sucrose	Tenax/GC-MS	no
Fungi	Boletus Edulis			no
Fungi	Coriolus Versicolor		steam destillation, GC-MS	no
Fungi	Emericella Nidulans	yest extract sucrose	Tenax/GC-MS	no
Fungi	Fistulina Hepatica		HRGC-MS,; DB5;ZB Wax	no
Fungi	Fomes Fomentarius			no
Fungi	Fomitopsis Pinicola	na	GC/MS	No
Fungi	Fusarium Spp.			no
Fungi	Ganoderma Adspersum		steam destillation, GC-M	no
Fungi	Gleophyllum Odoratum	na	GC/MS	No
Fungi	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Lentinus Edodes			no
Fungi	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Fungi	Neurospora Sitophila ATCC 46892	Malt extract	Headspace/gas chromatography
Fungi	Neurospora Sp.	potato dextrose agar	dynamic headspace/gas chromatography
Fungi	Paxillus Involutus MAJ	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Paxillus Involutus NAU	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Pencillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.	Yes
Fungi	Penicillium Aurantiogriseum	n/a	n/a
Fungi	Penicillium Brevicompactum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Chrysogenum	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Penicillium Glabrum NRRL 766	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Penicillium Paneum (Conidia)	Malt extract medium	Headspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
Fungi	Penicillium Polonicum	malt extract agar (MEA), wallpaper, plasterboard	SPME/GC-MS
Fungi	Penicillium Spp		gas-liquid chromatography	no
Fungi	Phialophora Fastigiata Conant	DG18	GC/MS
Fungi	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Piptoporus Betulinus	na	GC/MS	No
Fungi	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	No
Fungi	Pleurotus Eryngii Var. Tuoliensis	na	GC/MS, GC-O, AEDA	No
Fungi	Pleurotus Ostreatus			no
Fungi	Rhizoctonia Solani AG2-2 IIIB	Potato Dextrose Agar7	Tenax TA / TDGC-MS	yes
Fungi	Rhizopus Stolonifer	Potato dextrose agar and tobacco products.	Closedloop stripping analysis and GC/TOF-MS.
Fungi	Rhizopus Stolonifer NRRL 54667	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS
Fungi	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Trametes Suaveolens	na	GC/MS	No
Fungi	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Atroviride ATCC 74058	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Reesei	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Spp			no
Fungi	Trichoderma Virens	Potato dextrose agar	HS-SPME/GC-MS
Fungi	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Tricholoma Matsutake			no
Fungi	Tuber Aestivum	n/a	n/a
Fungi	Tuber Borchii	n/a	n/a
Fungi	Tuber Brumale	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi	Tuber Indicum	n/a	n/a
Fungi	Tuber Indicum AM406672		GC-MS	yes
Fungi	Tuber Melanosporum	n/a	n/a
Fungi	Tuber Uncinatum	n/a	SPME-GC-MS
Fungi	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Verticilliumspp.			no
Fungi	Aspergillus Versicolor	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Chaetomium Globosum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Eurotium Amstelodami	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Penicillium Brevicompactum	ingrain wallpaper	GC/MS-SIM	Yes
Fungi	Penicillium Sp.	n/a	n/a
Fungi	Tuber Borchii	na	SPME-GC/MS/O); GC-R	Yes
Fungi	Fusarium Graminearum 15AcDON	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON 1001ta	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON ZFR 29	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_4	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_8	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 15AcDON_9	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1002t	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 11791	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 1509	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON 8046	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL38369	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON NRRL6394	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 15	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 37	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum 3AcDON ZFR 51	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV 357	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 119	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 23	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV ZFR 48	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_5	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_6	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_7	yeast extract sucrose agar	SPME/GC-MS
Fungi	Fusarium Graminearum NIV_8	yeast extract sucrose agar	SPME/GC-MS

1-methyl-4-(6-methylhept-5-en-2-yl)benzene

Mass-Spectra

Compound Details

Synonymous names

VMYXUZSZMNBRCN-UHFFFAOYSA-N

Curcumene

aromatic curcumene

alpha-Curcumene

aryl-curcumene

Curcumene

Ar-Curcumene

AC1L3NI1

.alpha.-Curcumene

LP102105

CHEBI:62757

644-30-4

2-Methyl-6-p-tolyl-2-heptene

2-Heptene, 2-methyl-6-p-tolyl-

1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene

1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene #

1-methyl-4-(6-methylhept-5-en-2-yl)benzene

1-(1,5-dimethyl-hex-4-enyl)-4-methyl-benzene

Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-

Microorganism:

Yes

IUPAC name

1-methyl-4-(6-methylhept-5-en-2-yl)benzene

SMILES

CC1=CC=C(C=C1)C(C)CCC=C(C)C

Inchi

InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3

Formula

C₁₅H₂₂

PubChem ID

92139

Molweight

202.341

LogP

5.39

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes benzenoids

mVOC Specific Details

MS-Links

MS-MS Spectrum 179587

MS-MS Spectrum 179588

MS-MS Spectrum 181917

MS-MS Spectrum 181918

MS-MS Spectrum 181919

MS-MS Spectrum 179586

MS-Links

GC-MS Spectrum 3150

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Coriolus Versicolor		colonized beetle	Guevara et al 2000
Fungi	Ganoderma Adspersum		colonized beetle	Guevara et al 2000
Fungi	Piptoporus Betulinus		colonized beetle	Guevara et al 2000
Fungi	Aspergillus Fumigatus Strain FGSC A1163			Heddergott et al. 2014
Fungi	Trichoderma Atroviride ATCC 74058			Stoppacher et al., 2010
Fungi	Trichoderma Harzianum T-E5 CCTCC AF2012011	n/a		Zhang et al., 2014
Fungi	Ganoderma Lucidum	na	saprophytic on deciduous trees	Ziegenbein et al., 2006
Fungi	Penicillium Polonicum	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Trichoderma Atroviride	na	water damaged buildings, Belgium	Polizzi et al., 2012
Fungi	Armillaria Mellea	n/a		Mueller et al., 2013
Fungi	Aspergillus Vesicolor		compost	Fischer et al. 2029
Fungi	Penicillium Expansum		compost	Fischer et al. 2029
Fungi	Pholiota Squarrosa	n/a		Mueller et al., 2013
Fungi	Stropharia Rugosoannulata	n/a		Mueller et al., 2013
Fungi	Trichoderma Viride	n/a		Mueller et al., 2013

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Coriolus Versicolor		steam destillation, GC-M	no
Fungi	Ganoderma Adspersum		steam destillation, GC-M	no
Fungi	Piptoporus Betulinus		steam destillation, GC-M	no
Fungi	Aspergillus Fumigatus Strain FGSC A1163	Brian`s broth, AMM, RPMI 1668	SPME / GC-MS
Fungi	Trichoderma Atroviride ATCC 74058	Potato dextrose agar	HS-SPME/GC-MS	no
Fungi	Trichoderma Harzianum T-E5 CCTCC AF2012011	Minimal media	SPME/GC-MS
Fungi	Ganoderma Lucidum	na	GC/MS	No
Fungi	Penicillium Polonicum	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Trichoderma Atroviride	malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar	SPME-GC/MS	No
Fungi	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Aspergillus Vesicolor	yest extract sucrose	Tenax/GC-MS	no
Fungi	Penicillium Expansum	yest extract sucrose	Tenax/GC-MS	no
Fungi	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS

Compound Details

Synonymous names

IRAQOCYXUMOFCW-OSFYFWSMSA-N

Cedrene

ALPHA-CEDRENE

Laevo-alpha-cedrene

Levo-alpha-cedrene

Q013

.alpha.-Cedrene

Cedr-8-ene

50D4A81G8T

UNII-50D4A81G8T

ZINC8234283

CHEBI:10216

KB-48813

STOCK1N-53148

(-)-alpha-cedrene

ZINC08234283

MFCD00063003

C-36189

AKOS030503768

(-)-|A-Cedrene

W-108691

FT-0623525

BRN 3196861

LMPR0103690006

469-61-4

(-)-.alpha.-Cedrene

EINECS 207-418-4

11028-42-5

MolPort-002-526-489

1224161-35-6

3-05-00-01095 (Beilstein Handbook Reference)

(-)-alpha-Cedrene, >=95.0% (sum of enantiomers, GC)

(1S,2R,5S)-2,6,6,8-Tetramethyltricyclo[5.3.1.01.5]undec-8-ene

(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undec-8-ene

(3R,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene

1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-

1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)-

[3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene

(3R-(3alpha,3Abeta,7beta,8aalpha))-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene

Microorganism:

Yes

IUPAC name

SMILES

CC1CCC2C13CC=C(C(C3)C2(C)C)C

Inchi

InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1

Formula

C₁₅H₂₄

PubChem ID

6431015

Molweight

204.357

LogP

4.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

Terpenes

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Origin/Habitat	Reference
Fungi	Coriolus Versicolor	colonized beetle	Guevara et al 2000
Fungi	Ganoderma Adspersum	colonized beetle	Guevara et al 2000
Fungi	Piptoporus Betulinus	colonized beetle	Guevara et al 2000

Method

Kingdom	Species	Applied Method	Verification
Fungi	Coriolus Versicolor	steam destillation, GC-M	no
Fungi	Ganoderma Adspersum	steam destillation, GC-M	no
Fungi	Piptoporus Betulinus	steam destillation, GC-M	no

(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names

Caffeic acid dehydrogenation homopolymer

QAIPRVGONGVQAS-DUXPYHPUSA-N

trans-Caffeate

caffeic acid

Caffeic acid polymer

trans-caffeic acid

AC1LENC9

Caffeic acid-Supplied by Selleck Chemicals

3,4-Dihydroxybenzeneacrylic acid

CHEMBL145

PubChem8262

U2S3A33KVM

3,4-Dihydroxycinnamic acid

AC1Q71G3

BDBM4375

GTPL5155

SCHEMBL23358

UNII-U2S3A33KVM

Caffeic acid, trans-

CCRIS 847

Cinnamic acid,4-dihydroxy-

HMDB03501

N1735

S2277_Selleck

ZINC58172

3,4-Dihydroxy-trans-cinnamate

3,4-Dihydroxycinnamate, XVII

3,4-Dihydroxycinnamic acid, predominantly trans

ARONIS023304

BIDD:ER0456

Caffeic acid, 1

DB01880

LP00208

NSC57197

RP17448

3,4-Dihydroxy-cinnamic acid

C01197

C01481

HMS2235G09

HMS3260J17

HMS3649O17

HSDB 7088

SPECTRUM1503987

3,4-Dihydroxy-trans-cinnamic acid

AC-8006

AK165587

AN-8427

BBL012113

BT000234

DNC000378

LP059999

LS-1204

NSC623438

OR021480

SBB006475

ST057529

STK397812

C 0625

CHEBI:16433

CHEBI:36281

M-2623

4CN-0995

AB0008394

AB1002167

AJ-09823

AK-88787

BP-30112

Caffeic acid, United States Pharmacopeia (USP) Reference Standard

CCG-38895

KB-48626

KB-69811

NSC 57197

NSC-57197

Opera_ID_1700

SC-03536

ST2404720

2-Propenoic acid,4-dihydroxyphenyl)-

ACN-S002765

BB_NC-2102

MFCD00004392

trans-Caffeic acid, certified reference material, TraceCERT(R)

AB00490047

ACN-035473

AI3-63211

cid_689043

NSC-623438

RTR-013891

TC-119661

TR-013891

3-(3,4-Dihydroxyphenyl)propenoic acid

AKOS000144463

I04-0025

(E)-3,4-dihydroxycinnamic acid

3-(3,4-dihydroxyphenyl)acrylic acid

EU-0100208

FT-0082321

FT-0614329

FT-0693125

MLS000069738

MLS001076493

MLS002207132

MLS002222302

MLS006011849

SMR000058214

SMR004703501

Cinnamic acid, 3,4-dihydroxy-

Tox21_500208

331-39-5

331-89-5

501-16-6

4-(2-Carboxyethenyl)-1,2-dihydroxybenzene

4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene

NCGC00017364-04

NCGC00017364-05

NCGC00017364-06

NCGC00017364-07

NCGC00017364-08

NCGC00017364-09

NCGC00017364-10

NCGC00017364-11

NCGC00017364-12

NCGC00017364-13

NCGC00022654-03

NCGC00022654-04

NCGC00022654-05

NCGC00022654-06

NCGC00022654-07

NCGC00022654-08

NCGC00022654-09

NCGC00260893-01

EINECS 206-361-2

71693-97-5

SDCCGMLS-0002982.P003

Caffeic acid, >=98.0% (HPLC)

3-(3,4-Dihydroxyphenyl)-2-propenoic acid

3-(3,4-dihydroxyphenyl)prop-2-enoic acid

3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer

MolPort-000-742-954

MolPort-006-717-538

(E)-3-(3,4-dihydroxyphenyl)acrylic acid

3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer

3-(3,4-Dihydroxy phenyl)-2-propenoic acid

(2E)-3-(3,4-dihydroxyphenyl)acrylic acid

Caffeic acid, purum, >=95.0% (HPLC)

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-

(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer

Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC)

(E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid

(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid

(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

BRD-K09900591-001-06-9

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI)

Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC), powder, light beige

2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, (2E)-

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-

8B3E4DA7-F3B0-4972-A315-2E387071737F

InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2

Microorganism:

Yes

IUPAC name

(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

SMILES

C1=CC(=C(C=C1C=CC(=O)O)O)O

Inchi

InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+

Formula

C₉H₈O₄

PubChem ID

689043

Molweight

180.159

LogP

1.53

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carboxylic acids alcohols benzenoids alkenes

mVOC Specific Details

Volatilization

The Henry's Law constant for caffeic acid is estimated as 1.4X10-16 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that caffeic acid is expected to be essentially nonvolatile from water surfaces(2). Caffeic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.5X10-7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

Soil Adsorption

The Koc of caffeic acid is estimated as 100(SRC), using a log Kow of 1.15(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that caffeic acid is expected to have high mobility in soil. The pKa of caffeic acid is 4.62(4), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb to organic carbon and clay more strongly than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res. Lab., Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Serjeant EP, Dempsey B; Ionisation constants of organic acids in aqueous solution. IUPAC Chem Data Ser No. 23. NY, NY: Pergamon pp. 989 (1979) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

MS-Links

MS-MS Spectrum 107598

MS-MS Spectrum 174610

MS-MS Spectrum 174611

MS-MS Spectrum 107599

MS-MS Spectrum 174609

MS-MS Spectrum 107600

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Coriolus Versicolor	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Flammulina Velutipes	na	Korea	Kim et al., 2008
Fungi	Ganoderma Applanatum	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Phellinus Linteus	na	Korea	Kim et al., 2008
Fungi	Sparassis Crispa	na	Korea	Kim et al., 2008

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Coriolus Versicolor	na	HPLC	Yes
Fungi	Flammulina Velutipes	na	HPLC	Yes
Fungi	Ganoderma Applanatum	na	HPLC	Yes
Fungi	Phellinus Linteus	na	HPLC	Yes
Fungi	Sparassis Crispa	na	HPLC	Yes

3,4,5-trihydroxybenzoic Acid

Mass-Spectra

Compound Details

Synonymous names

GALLICACID

LNTHITQWFMADLM-UHFFFAOYSA-N

gallate

gallic acid for microelectronic industrial

Gallicum acidum

Kyselina gallova

GALOP

Gallic acid

GALLIC ACID ANHYDROUS

GDE

Gallic Acid Hydrate

Gallic acid polymer

Pyrogallol-5-carboxylic acid

Gallic acid tech.

Gallic acid, tech

3,5-Trihydroxybenzoic acid

AC1Q732X

AC1Q732Y

GTPL5549

KSC175M1R

Kyselina gallova [Czech]

ZINC1504

ACMC-20aku5

ARONIS23903

CG0029

Gallic Acid, F

SCHEMBL15012

CTK0H5618

G0011

HMDB05807

N1830

SPECTRUM210369

T7419

3,4,5-Trihydroxybenzoate

AC1L1934

BIDD:ER0374

CHEMBL288114

CPD-183

Gallic acid, tech.

Kyselina 3,4,5-trihydroxybenzoova

LS-870

NSC20103

NSC36997

RP23206

632XD903SP

bmse000389

C01424

CCRIS 5523

DSSTox_CID_650

Gallic acid [NF]

HMS1923K07

HMS2091A07

HSDB 2117

(?)-Gallic acid

AC-1206

BBL009937

BC200279

BT000209

CA007911

DNC007143

DTXSID0020650

EBD679760

Jsp002851

NSC674319

NSC755825

OR182652

PS-8710

SBB008781

ST083487

STK298718

3,4,5-Trihydroxybenzoic acid

CHEBI:30778

SpecPlus_000307

Spectrum_000342

UNII-632XD903SP

3,4,5-trihydroxy-Benzoate

4CN-0954

AB1002218

AJ-08037

AK-65266

AN-15162

BSPBio_001668

CCG-38670

DSSTox_GSID_20650

Gallic acid, certified reference material, TraceCERT(R)

KBioGR_002008

KBioSS_000822

NSC 20103

NSC-20103

NSC-36997

SC-46383

ST2404570

BB_SC-2795

BDBM50085536

Benzoic acid,4,5-trihydroxy-

DSSTox_RID_75711

MFCD00002510

SPBio_000617

Spectrum2_000399

Spectrum3_000254

Spectrum4_001544

Spectrum5_000108

WLN: QVR CQ DQ EQ

3,4,5-Trihydroxybenzoic acid, anhydrous

AI3-16412

NSC 674319

NSC-674319

NSC-755825

RTR-020762

TR-020762

3,4,5-trihydroxy-Benzoic acid

3,4,5-Trihydroxybenzoic acid;

AKOS000119625

DivK1c_006403

I14-9302

KBio1_001347

KBio2_000822

KBio2_003390

KBio2_005958

KBio3_001168

Oprea1_087792

Q-201146

3,4,5-Trihydroxybenzoate, X

BRN 2050274

FT-0655615

Z966690556

5-Carboxybenzene-1,2,3-triol

Kyselina 3,4,5-trihydroxybenzoova [Czech]

Tox21_111089

Tox21_202515

138-57-8

149-91-7

F1908-0156

MCULE-1552954312

NCGC00091125-01

NCGC00091125-02

NCGC00091125-03

NCGC00091125-04

NCGC00091125-05

NCGC00091125-07

NCGC00260064-01

AB00052697_03

CAS-149-91-7

EINECS 205-749-9

Benzoic acid, 3,4,5-trihydroxy-

Pharmakon1600-00210369

SDCCGMLS-0066503.P001

SR-05000001537

Tox21_111089_1

Gallic acid, puriss., 98.0%

SBI-0052184.P002

MolPort-000-881-260

SR-05000001537-3

Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih

3,4,5-trihydroxybenzoic acid (ACD/Name 4.0)

3-10-00-02070 (Beilstein Handbook Reference)

Gallic acid, 97.5-102.5% (titration)

BRD-K77345217-001-01-9

78563C7D-0E2D-4766-A8EA-670A03C78FCF

InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12

Microorganism:

Yes

IUPAC name

3,4,5-trihydroxybenzoic acid

SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)O

Inchi

InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)

Formula

C₆H₂(OH)₃COOH

PubChem ID

370

Molweight

170.12

LogP

0.72

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carboxylic acids alcohols benzenoids

mVOC Specific Details

Volatilization

The Henry's Law constant for gallic acid is estimated as 8.5X10-20 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that gallic acid will be essentially nonvolatile from water surfaces(2,SRC). Gallic acid's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is not expected(SRC). Gallic acid is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 1.2X10-7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press (1985)

Soil Adsorption

The Koc of gallic acid is estimated as approximately 57(SRC), using a measured log Kow of 0.70(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that gallic acid is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, And Steric Constants. ACS Prof Ref Book. Washington, DC: American Chemical Society (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)

MS-Links

MS-MS Spectrum 2455 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 181976

MS-MS Spectrum 179640

MS-MS Spectrum 6089 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 2456 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 201983

MS-MS Spectrum 6090 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

MS-MS Spectrum 201984

MS-MS Spectrum 179641

MS-MS Spectrum 6087 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 6088 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 6091 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative

MS-MS Spectrum 6086 - EI-B (HITACHI M-52) Positive

MS-MS Spectrum 226367

MS-MS Spectrum 179642

MS-MS Spectrum 201985

MS-MS Spectrum 201981

MS-MS Spectrum 201982

MS-MS Spectrum 181974

MS-MS Spectrum 2454 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 181975

1D-NMR-Links

1D NMR Spectrum 2029 - Bruker 600 MHz 1H NMR

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Agaricus Bisporus	na	Korea	Kim et al., 2008
Fungi	Agaricus Bisporus (white)	na	northeast Portugal	Reis et al., 2012
Fungi	Agaricus Blazei	na	Korea	Kim et al., 2008
Fungi	Cordyceps Sinensis	scavengers of peroxy radicals	Serbian pharmacies	StilinoviÄ‡ et al., 2014
Fungi	Coriolus Versicolor	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Flammulina Velutipes	na	Korea	Kim et al., 2008
Fungi	Ganoderma Applanatum	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Ganoderma Lucidum	na	Korea	Kim et al., 2008
Fungi	Laetiporus Sulphureus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Lentinus Edodes	na	Korea	Kim et al., 2008
Fungi	Meripilus Giganteus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Panus Tigrinus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Phellinus Linteus	na	Korea	Kim et al., 2008
Fungi	Pleurotus Eryngii	na	northeast Portugal	Reis et al., 2012
Fungi	Pleurotus Ostreatus	na	Korea	Kim et al., 2008
Fungi	Sparassis Crispa	na	Korea	Kim et al., 2008

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Agaricus Bisporus	na	HPLC	Yes
Fungi	Agaricus Bisporus (white)	MMN-medium	HPLC/PAD	Yes
Fungi	Agaricus Blazei	na	HPLC	Yes
Fungi	Cordyceps Sinensis	na	LC-MS/MS	Yes
Fungi	Coriolus Versicolor	na	HPLC	Yes
Fungi	Flammulina Velutipes	na	HPLC	Yes
Fungi	Ganoderma Applanatum	na	HPLC	Yes
Fungi	Ganoderma Lucidum	na	HPLC	Yes
Fungi	Laetiporus Sulphureus	na	HPLC	Yes
Fungi	Lentinus Edodes	na	HPLC	Yes
Fungi	Meripilus Giganteus	na	HPLC	Yes
Fungi	Panus Tigrinus	na	HPLC	Yes
Fungi	Phellinus Linteus	na	HPLC	Yes
Fungi	Pleurotus Eryngii	MMN-medium	HPLC/PAD	Yes
Fungi	Pleurotus Ostreatus	na	HPLC	Yes
Fungi	Sparassis Crispa	na	HPLC	Yes

3,4-dihydroxybenzoic Acid

Mass-Spectra

Compound Details

Synonymous names

protocatechuate

Protacatechuic Acid

protocatechuic acid

Protocatechuic acid polymer

Protocatechuic acid, primary pharmaceutical reference standard

Protocatehuic acid

YQUVCSBJEUQKSH-UHFFFAOYSA-N

beta-Resorcylate

b-Resorcylate

Oxidative polymer of protocatechuic acid

1ykp

4fht

AC1Q5TRL

Pyrocatechol-4-carboxylic Acid

3,4-Dihydroxybenzoicacid

Catechol-4-carboxylic Acid

3,4-dihydroxybenzoes

3,4-DIACETOXY-BENZOICACID

3,4-DIHYDROXYBENZOIC ACID

4,5-Dihydroxybenzoic acid

AC1L18F1

AC1Q732Z

KSC486M3D

ACMC-209scu

CHEMBL37537

cid_72

CP0105

SCHEMBL39435

36R5QJ8L4B

CTK3I6631

HMDB01856

N2466

ZINC13246

3,4-Dihydroxybenzoic acid, analytical standard

ACT07872

DB03946

NSC16631

Protocatechuic acid (M1)

Protocatechuic acid, United States Pharmacopeia (USP) Reference Standard

RP21802

3, 4-Dihydroxybenzoic acid

3,4-Dihydroxy Benzoic Acid

3,4-dihydroxy-benzoic acid

3,4-Dihydroxybenzoate, VIII

bmse000328

C00230

CCRIS 6291

HMS2270A17

KUC104409N

UNII-36R5QJ8L4B

4-Carboxy-1,2-dihydroxybenzene

AC-9617

BBL012232

BT000176

CS-6092

DTXSID4021212

HY-N0294

LS-7685

OR021858

OR382759

SBB061371

STL163570

CHEBI:36062

D-3487

DSSTox_CID_1212

M-3133

3,4-dihydroxybenzoic acid (protocatechuic acid)

AB0008267

AB1002236

AJ-08357

AK-47644

ANW-41020

BR-47644

DSSTox_GSID_21212

KB-28323

NSC 16631

NSC-16631

SC-46684

ST2417248

TRA0078616

ACN-S002778

BB_NC-2256

BDBM50100861

DSSTox_RID_76012

MFCD00002509

AM20060767

CCG-207950

DB-021903

KB-234038

RTR-032902

ST50824448

TR-032902

AKOS000119632

I01-2896

BRN 1448841

FT-0600028

KSC-10-128

MLS000737807

SMR000528167

99-50-3

Benzoic acid, 3,4-dihydroxy-

Tox21_200167

CAS-99-50-3

MCULE-8964889860

NCGC00246757-01

NCGC00246757-02

NCGC00257721-01

EINECS 202-760-0

MolPort-000-881-444

3,4-Dihydroxybenzoic acid, 97% 25g

AE-562/40524392

Benzoic acid, 3,4-dihydroxy- (9CI)

3,4-Dihydroxybenzoic acid, Vetec(TM) reagent grade, 97%

3,4-Dihydroxybenzoic acid, >=97.0% (T)

976C8CCE-B25D-4E0A-9A6F-3CEEA7A6964F

InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11

Microorganism:

Yes

IUPAC name

3,4-dihydroxybenzoic acid

SMILES

C1=CC(=C(C=C1C(=O)O)O)O

Inchi

InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)

Formula

C₇H₆O₄

PubChem ID

Molweight

154.121

LogP

1.02

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

carboxylic acids alcohols benzenoids

mVOC Specific Details

Microorganisms emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Fungi	Agaricus Bisporus	na	Korea	Kim et al., 2008
Fungi	Agaricus Bisporus (brown)	na	northeast Portugal	Reis et al., 2012
Fungi	Agaricus Blazei	na	Korea	Kim et al., 2008
Fungi	Coprinus Comatus	scavengers of peroxy radicals	Serbian pharmacies	StilinoviÄ‡ et al., 2014
Fungi	Cordyceps Sinensis	scavengers of peroxy radicals	Serbian pharmacies	StilinoviÄ‡ et al., 2014
Fungi	Coriolus Versicolor	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Flammulina Velutipes	na	Korea	Kim et al., 2008
Fungi	Ganoderma Applanatum	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Ganoderma Lucidum	na	Korea	Kim et al., 2008
Fungi	Inonotus Obliquus	na	Korea	Kim et al., 2008
Fungi	Laetiporus Sulphureus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Lentinula Edodes	na	northeast Portugal	Reis et al., 2012
Fungi	Lentinus Edodes	na	Korea	Kim et al., 2008
Fungi	Meripilus Giganteus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Panus Tigrinus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al., 2010.
Fungi	Phellinus Linteus	na	Korea	Kim et al., 2008
Fungi	Pleurotus Eryngii	na	northeast Portugal	Reis et al., 2012
Fungi	Pleurotus Ostreatus	na	northeast Portugal	Reis et al., 2012
Fungi	Sparassis Crispa	na	Korea	Kim et al., 2008

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Fungi	Agaricus Bisporus	na	HPLC	Yes
Fungi	Agaricus Bisporus (brown)	MMN-medium	HPLC/PAD	Yes
Fungi	Agaricus Blazei	na	HPLC	Yes
Fungi	Coprinus Comatus	na	LC-MS/MS	Yes
Fungi	Cordyceps Sinensis	na	LC-MS/MS	Yes
Fungi	Coriolus Versicolor	na	HPLC	Yes
Fungi	Flammulina Velutipes	na	HPLC	Yes
Fungi	Ganoderma Applanatum	na	HPLC	Yes
Fungi	Ganoderma Lucidum	na	HPLC	Yes
Fungi	Inonotus Obliquus	na	HPLC	Yes
Fungi	Laetiporus Sulphureus	na	HPLC	Yes
Fungi	Lentinula Edodes	MMN-medium	HPLC/PAD	Yes
Fungi	Lentinus Edodes	na	HPLC	Yes
Fungi	Meripilus Giganteus	na	HPLC	Yes
Fungi	Panus Tigrinus	na	HPLC	Yes
Fungi	Phellinus Linteus	na	HPLC	Yes
Fungi	Pleurotus Eryngii	MMN-medium	HPLC/PAD	Yes
Fungi	Pleurotus Ostreatus	MMN-medium	HPLC/PAD	Yes
Fungi	Sparassis Crispa	na	HPLC	Yes

Results for: Species: Coriolus versicolor Signature

Oct-1-en-3-ol

Compound Details

mVOC Specific Details

1-methyl-4-(6-methylhept-5-en-2-yl)benzene

Compound Details

mVOC Specific Details

Compound Details

mVOC Specific Details

(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic Acid

Compound Details

mVOC Specific Details

3,4,5-trihydroxybenzoic Acid

Compound Details

mVOC Specific Details

3,4-dihydroxybenzoic Acid

Compound Details

mVOC Specific Details

Results for:
Species: Coriolus versicolor

Signature