Results for:
Species: Streptomyces platensis F-1

Signature

Methyl 2-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names	Methyl anteisovalerate Methyl alpha-methylbutanoate gooseberry butyrate OCWLYWIFNDCWRZ-UHFFFAOYSA-N Methyl alpha-methylbutyrate methyl-2-methylbutyrate METHYL 2-METHYLBUTANOATE Methyl 2-methylbutyrate a-Methylbutyric acid methyl ester Methyl .alpha.-methylbutanoate Nat.Methyl-2-Methylbutyrate Methyl DL-2-Methylbutyrate Methyl 2-methylbutyrate, analytical standard 2-Methylbutyric acid methyl ester Methyl .alpha.-methylbutyrate methyl 2 methyl butyrate methyl 2-methyl butyrate METHYL 2-METHYLBUTYRATE) 2-methylbutanoic acid methyl ester methyl-2-methyl butyrate AC1L21KC KSC494K8T dl-2-Methylbutyric acid methyl ester CTK3J4589 2-Methylbutyric acid, methyl ester 2-Methylbutanoic acid, methyl ester M0758 Methyl 2-methylbutyrate (natural) VZ36288 SCHEMBL108113 Methyl ester of 2-methyl-butanoic acid OR010924 DTXSID1052587 OR280991 CHEMBL2287316 Methyl (S)-2-Methylbutanoate Methyl 2-methylbutyrate, 99% CHEBI:88538 ANW-42002 AN-20552 DSSTox_GSID_52587 KB-53943 DSSTox_CID_31160 LMFA07010934 MFCD00009335 ( )-Methyl a-methylbutyrate DB-056956 RTR-027041 AI3-34461 TR-027041 Methyl ( )-2-methylbutanoate Butanoic acid,2-methyl-, methyl ester AKOS009117977 ( )-Methyl 2-methylbutanoate FT-0628462 FEMA No. 2719 I14-19921 Tox21_303742 Butanoic acid, 2-methyl-, methyl ester 868-57-5 Butyric acid, 2-methyl-, methyl ester NCGC00357048-01 CAS-868-57-5 EINECS 212-778-0 Methyl 2-methylbutyrate, >=98%, FCC, FG 53955-81-0 Butyric acid, .alpha.-methyl-, methyl ester MolPort-003-929-045 Methyl 2-methylbutyrate, natural, >=98%, FCC, FG Butanoic acid, 2-methyl-, methyl ester, ( )- Butanoic acid, 2-methyl-, methyl ester, (.+/-.)-
IUPAC name	methyl 2-methylbutanoate
SMILES	CCC(C)C(=O)OC
Inchi	InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
Formula	C6H12O2
PubChem ID	13357
Molweight	116.16
LogP	1.61
Atoms	20
Bonds	19
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Esters Ester

mVOC Specific Details

MS-Links	MS-MS Spectrum 14276 MS-MS Spectrum 7605 MS-MS Spectrum 14278 MS-MS Spectrum 14277 MS-MS Spectrum 7606 MS-MS Spectrum 7604
1D-NMR-Links	1D NMR Spectrum 3901 1D NMR Spectrum 4175

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Tuber Aestivum Burgundy region Molinier et al., 2015 Fungi Emericella Nidulans n/a Fischer et al., 1999 Fungi Xylaria Sp. na Haematoxylon brasiletto, Morelos, Mexico Sánchez-Ortiz et al., 2016 Bacteria Streptomyces Albus Subsp. Pathocidicus IFO 13812 n/a Schoeller et al., 2002 Bacteria Streptomyces Antibioticus ETH 22014 n/a Schoeller et al., 2002 Bacteria Streptomyces Aureofaciens ETH 13387 n/a Schoeller et al., 2002 Bacteria Streptomyces Aureofaciens ETH 28832 n/a Schoeller et al., 2002 Bacteria Streptomyces Coelicolor ATCC 21666 n/a Schoeller et al., 2002 Bacteria Streptomyces Griseus IFO 13849 n/a Schoeller et al., 2002 Bacteria Streptomyces Hygroscopicus IFO 13255 n/a Schoeller et al., 2002 Bacteria Streptomyces Murinus DSM 40091 n/a Schoeller et al., 2002 Bacteria Streptomyces Murinus NRRL 8171 n/a Schoeller et al., 2002 Bacteria Streptomyces Thermoviolaceus CBS 111.62 n/a Schoeller et al., 2002 Bacteria Streptomyces Platensis F-1 n/a S. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa). Wan et al., 2008 Fungi Tuber Simonea None None March et al., 2006 Fungi Tuber Melanosporum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Mesentericum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Miesentericum None None March et al., 2006 Fungi Tuber Rufum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Simonea n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Bacteria Actinomycetes Spp. n/a Schulz and Dickschat, 2007 Bacteria Collimonas Pratensis Ter91 n/a Garbeva et al., 2013

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Tuber Aestivum HS-SPME/GC-MS Yes Fungi Emericella Nidulans yeast extract sucrose agar n/a Fungi Xylaria Sp. PDA medium SPME-GC/MS Yes Bacteria Streptomyces Albus Subsp. Pathocidicus IFO 13812 n/a n/a Bacteria Streptomyces Antibioticus ETH 22014 n/a n/a Bacteria Streptomyces Aureofaciens ETH 13387 n/a n/a Bacteria Streptomyces Aureofaciens ETH 28832 n/a n/a Bacteria Streptomyces Coelicolor ATCC 21666 n/a n/a Bacteria Streptomyces Griseus IFO 13849 n/a n/a Bacteria Streptomyces Hygroscopicus IFO 13255 n/a n/a Bacteria Streptomyces Murinus DSM 40091 n/a n/a Bacteria Streptomyces Murinus NRRL 8171 n/a n/a Bacteria Streptomyces Thermoviolaceus CBS 111.62 n/a n/a Bacteria Streptomyces Platensis F-1 autoclaved wheat seeds Headspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS. Fungi Tuber Simonea None Pressure balanced head-space sampling and GC/TOF-MS No Fungi Tuber Melanosporum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Mesentericum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Miesentericum None Pressure balanced head-space sampling and GC/TOF-MS No Fungi Tuber Rufum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Simonea n/a Pressure balanced head-space sampling and GC/TOF-MS Bacteria Actinomycetes Spp. n/a n/a Bacteria Collimonas Pratensis Ter91 Headspace trapping/GC-MS

2,5-ditert-butylphenol

Mass-Spectra

Compound Details

Synonymous names	KDBZVULQVCUNNA-UHFFFAOYSA-N AC1L2YI4 AC1Q79XC 6215AF 2,5-ditert-butylphenol CTK5A8820 NSC68767 SCHEMBL142987 R9R0A277K1 OR013348 OR095692 AK388797 SBB093727 CHEMBL1795399 DTXSID0064046 ZINC1695283 UNII-R9R0A277K1 2,5-Di-tert-butylphenol CJ-28434 NSC 68767 NSC-68767 ZINC01695283 2,5-bis(tert-butyl)phenol NCIOpen2_003366 AKOS016347308 2,5-bis(1,1-Dimethylethyl)phenol MCULE-3858730472 5875-45-6 EINECS 227-543-8 Phenol, 2,5-di-tert-butyl- 50356-16-6 MolPort-003-801-872 Phenol,2,5-bis(1,1-dimethylethyl)- AG-672/25002578 Phenol, 2,5-bis(1,1-dimethylethyl)- Phenol, 2,5-di-tert-butyl- (8CI)
IUPAC name	2,5-ditert-butylphenol
SMILES	CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)O
Inchi	InChI=1S/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3
Formula	C14H22O
PubChem ID	79983
Molweight	206.329
LogP	4.76
Atoms	37
Bonds	37
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	benzenoids alcohols

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Streptomyces Platensis F-1 n/a S. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa). Wan et al., 2008
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Streptomyces Platensis F-1 autoclaved wheat seeds Headspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS.

(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol

Compound Details

Synonymous names	Widdrol AC1L3S0E AC1Q59NR CHEMBL2253133 OR328218 SCHEMBL6519819 6892-80-4 (7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol 1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, cis- 1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, (4aS-cis)-
IUPAC name	(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
SMILES	CC1(CCCC2(C1=CCC(CC2)(C)O)C)C
Inchi	InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-11-15(4,16)9-6-12(13)14/h6,16H,5,7-11H2,1-4H3/t14-,15+/m0/s1
Formula	C15H26O
PubChem ID	94334
Molweight	222.372
LogP	3.49
Atoms	42
Bonds	43
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	terpenes alcohols

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Streptomyces Platensis F-1 n/a S. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa). Wan et al., 2008 Fungi Alternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297) DSMZ Weikl et al. 2036 Fungi Alternaria Alternata(Fr.)Keissler (DSMZ 62010) DSMZ Weikl et al. 2049

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Streptomyces Platensis F-1 autoclaved wheat seeds Headspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS. Fungi Alternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297) malt extract agar SBSE-GC-MS no Fungi Alternaria Alternata(Fr.)Keissler (DSMZ 62010) malt extract agar SBSE-GC-MS no

1-(3-methylphenyl)ethanone

Mass-Spectra

Compound Details

Synonymous names	m-Methylacetophenone FSPSELPMWGWDRY-UHFFFAOYSA-N M-ACETYLTOLUENE 3'-Methylacetophenone 3-METHYLACETOPHENONE 3 inverted exclamation marka-Methylacetophenone m-methyl acetophenone 3-Acetyltoluene AC1Q5CBT 3'-methyl acetophenone ACMC-1ANMJ Methyl m-tolyl ketone AC1Q1JL8 AC1Q1JL7 AC1L1XE1 ST018 PubChem4279 L547 KSC608K4L zlchem 864 ZLD0325 1-m-Tolyl-ethanone SCHEMBL76212 1-METHYL-3-ACETYLBENXENE Acetophenone, m-methyl- 1-METHYL-3-ACETYLBENZENE 1-acetyl-3-methylbenzene V3KL17Y68N CTK5A8545 3'-Methylacetophenone, 98% 3'-METHYLACETOPHENONE(M-) M0191 CM11223 NSC46632 AS04042 NE10605 VZ27095 ACT05733 Acetophenone, 3'-methyl- 1-(3-Methylphenyl)ethanone 1-Methyl-3-acetylbenzene;3-Acetyltoluene A19719 UNII-V3KL17Y68N 1-(m-Tolyl)ethanone OR000698 DTXSID5074717 OR111699 OR111700 AK143347 SBB061772 AC-3644 ZINC1678782 NSC 46632 NSC-46632 SC-17824 TL8003746 KB-32805 AB0014766 AJ-29544 AN-12774 ANW-32983 CJ-06239 CJ-27495 LABOTEST-BB LTBB005584 ZINC01678782 MFCD00008742 1-(3-Methylphenyl)ethanone # 1-(3-methylphenyl)-Ethanone AM20040783 ST51047757 RT-001359 ST24037618 W-105383 AKOS009031466 I01-6444 FT-0616117 Z234895729 Ethanone,1-(3-methylphenyl)- EN300-20807 OTAVA-BB 1287350 1-(3-methylphenyl)ethan-1-one 585-74-0 585-74-0 3'-methylacetophenone MCULE-9520106797 Ethanone, 1-(3-methylphenyl)- Acetophenone, 3'-methyl- (8CI) EINECS 209-561-8 MolPort-001-791-885 Ethanone, 1-(3-methylphenyl)- (9CI) InChI=1/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H
IUPAC name	1-(3-methylphenyl)ethanone
SMILES	CC1=CC=CC(=C1)C(=O)C
Inchi	InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3
Formula	C9H10O
PubChem ID	11455
Molweight	134.178
LogP	2.04
Atoms	20
Bonds	20
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	ketones benzenoids

mVOC Specific Details

MS-Links

MS-MS Spectrum 178106 MS-MS Spectrum 180422 MS-MS Spectrum 178105 MS-MS Spectrum 180421 MS-MS Spectrum 180420 MS-MS Spectrum 178104

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Aspergillus Vesicolor compost Fischer et al. 2015 Bacteria Streptomyces Platensis F-1 n/a S. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa). Wan et al., 2008

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Aspergillus Vesicolor yest extract sucrose Tenax/GC-MS no Bacteria Streptomyces Platensis F-1 autoclaved wheat seeds Headspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS.

Naphthalen-1-ylmethanol

Mass-Spectra

Compound Details

Synonymous names	Naphthalenemethanol alpha-Naphthylcarbinol 1-Hydroxymethylnaphthalene alpha-Naphthylmethanol PBLNHHSDYFYZNC-UHFFFAOYSA-N 1-NAPHTHALENEMETHANOL 1-Naphthylenemethanol 1-Naphthylmethanol 1-Naphthylmethyl alcohol naphthalen-1-ylmethanol AC1Q7BYD 1-Naphthalene methanol Naphthalene-1-methanol 1-Naphthylmethanol # ACMC-1AKCI naphthylmethan-1-ol 1-Naphthyl Methanol 1-Menaphthyl alcohol 1-(Hydroxymethyl)naphthalene Naphthalen-1-Yl-Methanol CHEMBL1288 AC1L2H83 KSC157S7J (1-naphthyl)methanol K964 PubChem18751 NSC5315 SCHEMBL28403 (naphthalen-1-yl)methanol N0633 1-Naphthalenemethanol, 98% 4L2MEJ1Q34 CTK0F7974 VZ21560 RL03784 UNII-4L2MEJ1Q34 bmse000690 C14089 A15589 NSC-5315 FS-3468 SY007270 NSC 5315 SBB067167 OR021884 BC201264 OR189883 OR189884 AC-5790 OR209505 OR272842 ZINC1680841 M-3046 (Naphthalene-1-yl)-methanol 1-(Hydroxymethyl)naphthalene; 1-Naphthy lmethanol CHEBI:38137 AN-10653 TRA0065418 TL8003241 ST2413620 AB0006570 AB1008057 AJ-29645 AK-84417 KB-12970 ANW-30569 CJ-06288 CJ-27638 DTXSID30197295 LS-94729 MFCD00004044 ACN-S003485 TC-070744 ST50824685 RTC-070744 AI3-05977 DB-050512 W-106063 AKOS000249366 FT-0083606 FT-0605830 BRN 2042532 FT-0672627 DAlc2-H_000044 MCULE-5671461824 4780-79-4 EINECS 225-324-1 122242-54-0 MolPort-001-788-283 InChI=1/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H
IUPAC name	naphthalen-1-ylmethanol
SMILES	C1=CC=C2C(=C1)C=CC=C2CO
Inchi	InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2
Formula	C11H10O
PubChem ID	20908
Molweight	158.2
LogP	2.2
Atoms	22
Bonds	23
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	alcohols benzenoids

mVOC Specific Details

MS-Links

MS-MS Spectrum 26175 MS-MS Spectrum 32734 MS-MS Spectrum 26174 MS-MS Spectrum 26176 MS-MS Spectrum 32733 MS-MS Spectrum 32732

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Streptomyces Platensis F-1 n/a S. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa). Wan et al., 2008
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Streptomyces Platensis F-1 autoclaved wheat seeds Headspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS.

Compound Details

Synonymous names	FSRZGYRCMPZNJF-MDKBLUTQSA-N .beta.-Cubebene .beta.-Cuvebene 4-Isopropyl-7-methyl-3-methyleneoctahydro-1H-cyclopenta[2,3]cyclopropa[1,2-a]benzene # 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 2,3,3a.alpha.,3b.alpha.,4,5,6,7-octahydro-4.alpha.-isopropyl-7.beta.-methyl-3-methylene- 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3a.alpha.,3b.alpha.,4.alpha.,7.beta.,7aR*)- 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3a.alpha.,3b.beta.,4.beta.,7.alpha.,7aS*)]-
IUPAC name
SMILES	CC1CCC(C2C13C2C(=C)CC3)C(C)C
Inchi	InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13?,14?,15?/m1/s1
Formula	C15H24
PubChem ID	6432083
Molweight	204.357
LogP	4.15
Atoms	39
Bonds	41
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	terpenes alcohols

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Streptomyces Platensis F-1 n/a S. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa). Wan et al., 2008
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Streptomyces Platensis F-1 autoclaved wheat seeds Headspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS.

2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione

Mass-Spectra

Compound Details

Synonymous names	Polythymoquinone Thymoquinone Thymoquinon KEQHJBNSCLWCAE-UHFFFAOYSA-N THYMOQUI Thymoquinone, analytical standard 4hco AC1L1UVB 2-Isopropyl-5-methylbenzoquinone Thymoquinone, >=98% AC1Q692C NSC2228 CTK3J2036 SCHEMBL542535 CCRIS 7152 BDBM166686 ZINC164367 5-Isopropyl-2-methyl-p-benzoquinone 2-Isopropyl-5-methyl-p-benzoquinone 2-Methyl-5-isopropyl-p-benzoquinone FR-1185 SBB008296 DTXSID9060079 NSC-2228 CHEMBL1672002 NSC 2228 AK101679 OR042411 OR273361 K-9199 Spectrum_001237 SpecPlus_000457 ANW-41600 BSPBio_003129 CCG-40027 LS-56283 KBioGR_002455 KB-61727 KBioSS_001717 Spectrum2_000700 Spectrum3_001345 MFCD00001602 Spectrum4_001895 Spectrum5_000550 CHEBI:113532 p-Cymene-2,5-dione p-Mentha-3,5-dione SPBio_000859 ST45023960 AI3-17758 TR-030627 RTR-030627 S01-0455 KBio3_002349 KBio2_006853 KBio2_004285 KBio2_001717 KBio1_001497 DivK1c_006553 AKOS003368628 W-202869 BRN 1939047 2-Methyl-5-isopropyl-1,4-benzoquinone 2-Isopropyl-5-methyl-1,4-benzoquinone 2-Isopropyl-5-methylbenzo-1,4-quinone 5-Isopropyl-2-methyl-1,4-benzoquinone 490-91-5 WLN: L6V DVJ B1 EY1&1 2-Isopropyl-5-methylbenzo-1,4-quinone # MCULE-9899033250 NCGC00178250-01 EINECS 207-721-1 73940-92-8 MolPort-001-779-768 p-Mentha-3,6-diene-2,5-dione 2,4-dione, 5-isopropyl-2-methyl- 2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione 2-methyl-5-(methylethyl)cyclohexa-2,5-diene-1,4-dione 2,5-Cyclohexadiene-1,4-dione, 5-isopropyl-2-methyl- p-Mentha-3,6-diene-2,5-dione (8CI) 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione 2,4-dione, 2-methyl-5-(1-methylethyl)- 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 2-methyl-5-(1-methylethyl)-2,5-cyclohexadien-1,4-dione 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione 2-Methyl-5-(prop-2-yl)cyclohexa-2,5-diene-1,4-dione 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHYL-5-(1-METHYLETHYL)- 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione (F8) InChI=1/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H
IUPAC name	2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
SMILES	CC1=CC(=O)C(=CC1=O)C(C)C
Inchi	InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
Formula	C10H12O2
PubChem ID	10281
Molweight	164.204
LogP	2.55
Atoms	24
Bonds	24
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	quinones ketones

mVOC Specific Details

MS-Links

MS-MS Spectrum 97896 MS-MS Spectrum 162699 MS-MS Spectrum 162700 MS-MS Spectrum 97897 MS-MS Spectrum 97898 MS-MS Spectrum 162701

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Streptomyces Platensis F-1 n/a S. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa). Wan et al., 2008
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Streptomyces Platensis F-1 autoclaved wheat seeds Headspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS.

Mass-Spectra

Compound Details

Synonymous names	Methyl cyclohexanecarboxylate methyl cyclohexancarboxylate Methyl cyclohexylcarboxylate Methyl hexahydrobenzoate cyclohexanecarboxylic acid methyl Methyl cyclohexylformate methyl-cyclohexane carboxylate methyl cyclohexane carboxylate Cyclohexanecarboxylic Acid Methyl Ester methyl cyclohexane-carboxylate Methyl cyclohexanoate vanilla carboxylate ZQWPRMPSCMSAJU-UHFFFAOYSA-N Methyl ester of cyclohexanecarboxylic acid Hexahydrobenzoic acid methyl ester Cyclohexane carboxylic acid methyl ester cyclohexane-carboxylic acid methyl ester CYCLOHEXANECARBOXYLIC ACID, METHYL ESTER Methyl cyclohexanecarboxylate, >=98% Methyl cyclohexanecarboxylate, 98% cyclohexane carboxylic acid, methyl ester AC1L2GX0 ACMC-1AO3F H418 SCHEMBL18552 PubChem11146 c-C6H11COOCH3 VZ32699 RL03724 MP-2191 OR017346 LS-2918 OR272104 FR-2030 DTXSID9074303 SBB008423 TL806319 CHEBI:88845 SC-16218 ST2419610 CJ-14036 BR-47417 ANW-30429 AK-47417 AJ-62168 AB0013041 MFCD00001458 ZINC12405046 KB-257871 TR-017394 ST50823806 96144H696Q AI3-04803 DB-051370 CS-W007704 W-106094 I14-6531 AKOS008903582 FT-0628721 FEMA No. 3568 BRN 1306359 UNII-96144H696Q I14-21310 4630-82-4 MCULE-6850082589 EINECS 225-050-2 MolPort-000-160-217 4-09-00-00017 (Beilstein Handbook Reference) InChI=1/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H
IUPAC name
SMILES
Inchi
Formula
PubChem ID	20748
Molweight	142.198
LogP	2.04
Atoms	24
Bonds	24
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	esters

mVOC Specific Details

MS-Links

MS-MS Spectrum 61756 MS-MS Spectrum 61757 MS-MS Spectrum 118348 MS-MS Spectrum 118349 MS-MS Spectrum 118347 MS-MS Spectrum 61755

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Streptomyces Platensis F-1 n/a S. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa). Wan et al., 2008
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Streptomyces Platensis F-1 autoclaved wheat seeds Headspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS.