Results for:
Species: Aspergillus ochraceus

Signature

(3Z)-nona-1,3-diene

Compound Details

Synonymous names	1,3-Nonadiene 1,cis-3-nonadiene cis-nonadiene CLNYHERYALISIR-ALCCZGGFSA-N
Microorganism:	No
IUPAC name	(3Z)-nona-1,3-diene
SMILES	CCCCCC=CC=C
Inchi	InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7H,1,4,6,8-9H2,2H3/b7-5-
Formula	C9H16
PubChem ID	12563923
Molweight	124.22
LogP	4.1
Atoms	9
Bonds	5
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	alkadienes unsaturated hydrocarbons
Supernatural-ID	SN0049042-01

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Aspergillus Ochraceus NA Jelen and Grabarkiewicz-Szczesna 2005
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Aspergillus Ochraceus no

Ethyl Hexadecanoate

Mass-Spectra

Compound Details

Synonymous names	ETHYL PALMITATE Ethyl hexadecanoate 628-97-7 Palmitic acid ethyl ester Hexadecanoic acid, ethyl ester Ethyl cetylate Palmitic acid, ethyl ester FEMA No. 2451 Ethyl n-hexadecanoate IRD3M534ZM hexadecanoic acid ethyl ester hexadecanoic acid-ethyl ester DTXSID2047511 WE(2:0/16:0) NSC-8918 MFCD00008996 Ethyl Palmitate; Hexadecanoic acid ethyl ester Ethyl palmitate (natural) UNII-IRD3M534ZM NSC 8918 EINECS 211-064-6 AI3-06331 Ethyl palmitate, >=99% Hexadecanoic acid,ethyl ester SCHEMBL120620 ETHYL PALMITATE [FHFI] ETHYL PALMITATE [INCI] 3-trifluoromethyl-o-toluanilide QSPL 072 QSPL 171 QSPL 205 CHEMBL3561042 DTXCID0027511 Ethyl palmitate, >=95%, FG CHEBI:84932 FEMA 2451 ETHYL PALMITATE [USP-RS] NSC8918 HMS3650O17 Palmitic acid, ethyl ester (8CI) HY-N2086 Ethyl palmitate, analytical standard Tox21_302505 LMFA07010471 s9372 Ethyl hexadecanoate (ethyl palmitate) AKOS004910397 CCG-267313 MCULE-8045613210 Ethyl palmitate, 1mg/ml in Acetonitrile NCGC00256913-01 AC-35085 AS-57139 CAS-628-97-7 DB-054321 CS-0018590 NS00012447 P0003 Ethyl palmitate, natural (US), >=95%, FG Ethyl palmitate, Vetec(TM) reagent grade, 95% A801217 A868321 SR-01000946821 HEXADECANOIC ACID,ETHYL ESTER MFC18 H36 O2 SR-01000946821-1 HEXADECANOIC ACID,ETHYL ESTER MFC18 H36 O2 Q18354123 Ethyl palmitate, United States Pharmacopeia (USP) Reference Standard InChI=1/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H
Microorganism:	Yes
IUPAC name	ethyl hexadecanoate
SMILES	CCCCCCCCCCCCCCCC(=O)OCC
Inchi	InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
Formula	C18H36O2
PubChem ID	12366
Molweight	284.5
LogP	7.8
Atoms	20
Bonds	16
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	84932
Supernatural-ID	SN0431269

mVOC Specific Details

Boiling Point	Degree Reference 192 median
MS-Links	MS-MS Spectrum 155999 MS-MS Spectrum 155998 MS-MS Spectrum 92389 MS-MS Spectrum 92390 MS-MS Spectrum 92388 MS-MS Spectrum 155997
1D-NMR-Links	1D NMR Spectrum 4513 1D NMR Spectrum 4639
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003955

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Aspergillus Ochraceus NA Dickschat 2017 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Metschnikowia Lopburiensis NA NA Ljunggren et al. 2019 Eukaryota Saccharomyces Cerevisiae NA NA Ge et al. 2021 Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021 Eukaryota Saccharomyces Eubayanus NA NA Mardones et al. 2022 Eukaryota Wickerhamomyces Anomalus NA NA Shi et al. 2022 Eukaryota Saccharomyces Eubayanus NA NA Urbina et al. 2020 Eukaryota Saturnispora Diversa NA NA Zhao et al. 2022 Meyerozyma Guilliermondii Xiong et al. 2023 Cyberlindnera Fabianii Ma et al. 2023 Staphylococcus Aureus Wang et al. 2023 Pediococcus Acidilactici Mockus et al. 2024

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Aspergillus Ochraceus no Prokaryota Lentilactobacillus Buchneri maize silage HS-SPME coupled with GC-TOF MS no Prokaryota Lacticaseibacillus Paracasei maize silage HS-SPME coupled with GC-TOF MS no Eukaryota Metschnikowia Lopburiensis liquid YPD medium GC-MS no Eukaryota Saccharomyces Cerevisiae grape juice LC-15C HPLC no Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no Eukaryota Saccharomyces Eubayanus YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%) HS‐SPME‐GC‐MS no Eukaryota Wickerhamomyces Anomalus medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l) SPME with GC-MS no Eukaryota Wickerhamomyces Anomalus solid-state fermentation starter culture Daqu SPME coupled with GC-MS no Eukaryota Saccharomyces Eubayanus beer wort HS-SPME-GC-MS no Eukaryota Saturnispora Diversa synthetic grape juice HS-SPME no Meyerozyma Guilliermondii YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose GC-MS and GC-IMS no Cyberlindnera Fabianii tuna cooking liquid HS-SPME-GC/MS no Staphylococcus Aureus raw Shiyang chicken HS-GC-IMS/HS-SPME-GC-MS no Pediococcus Acidilactici lentils (Lens culinaris) SPME/ICP-MS no

Ethyl (9Z,12Z)-octadeca-9,12-dienoate

Mass-Spectra

Compound Details

Synonymous names	ETHYL LINOLEATE 544-35-4 Linoleic acid ethyl ester Mandenol ethyl (9Z,12Z)-octadeca-9,12-dienoate Ethyl linolate Linoleic acid, ethyl ester Ethyl cis,cis-9,12-octadecadienoate Ethyl linoleate, pure Ethyl linoleate [JAN] UNII-MJ2YTT4J8M MJ2YTT4J8M 9,12-Octadecadienoic acid (9Z,12Z)-, ethyl ester Ethyl (Z,Z)-9,12-Octadecadienoate NSC-50447 9,12-Octadecadienoic acid ethyl ester 9,12-Octadecadienoic acid (Z,Z)-, ethyl ester CHEBI:31572 EINECS 208-868-4 NSC 50447 EC 208-868-4 ethyl (9Z,12Z)-octadecadienoate MFCD00009535 (9Z,12Z)-Ethyl octadeca-9,12-dienoate Ethyl linoleate (JAN) ETHYL LINOLEATE (USP-RS) ETHYL LINOLEATE [USP-RS] ethyl linoleate-9,10,12,13-d4 Ethyl linoleate, 50% Ethyl linoleate, 70% 9,Z)-, ethyl ester Ethyl linoleate, >=99% SCHEMBL81540 ETHYL LINOLEATE [MI] Ethyl cis,12-octadecadienoate ETHYL LINOLEATE [INCI] QSPL 206 CHEMBL2106238 DTXSID1060269 ETHYL LINOLEATE [WHO-DD] HMS3650O09 NSC50447 Ethyl linoleate, analytical standard AKOS015843230 CS-W014528 HY-W013812 9,12,Octadececadienoic acid, ethyl ester AC-33781 AS-63462 Ethyl linoleate, technical, >=65% (GC) technical, inverted exclamation markY65% DB-003652 Ethyl (9Z,12Z)-9,12-octadecadienoate # L0055 L0135 NS00003902 NS00100221 cis-9,cis-12-Octadecadienoic acid ethyl ester D01590 D91254 Fmoc-(S)-3-Amino-3-(2-naphthyl)-propionicacid SR-01000946817 SR-01000946817-1 Q27104200 Ethyl linoleate, United States Pharmacopeia (USP) Reference Standard
Microorganism:	Yes
IUPAC name	ethyl (9Z,12Z)-octadeca-9,12-dienoate
SMILES	CCCCCC=CCC=CCCCCCCCC(=O)OCC
Inchi	InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-
Formula	C20H36O2
PubChem ID	5282184
Molweight	308.5
LogP	7.3
Atoms	22
Bonds	16
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	31572
Supernatural-ID	SN0089662-01

mVOC Specific Details

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Aspergillus Ochraceus NA Dickschat 2017 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Hanseniaspora Uvarum NA NA Ge et al. 2021 Eukaryota Saccharomycopsis Crataegensis NA NA Ge et al. 2021 Eukaryota Metschnikowia Pulcherrima NA NA Ge et al. 2021 Eukaryota Pichia Kluyveri NA NA Ge et al. 2021 Eukaryota Rhodosporidiobolus Lusitaniae NA NA Ge et al. 2021 Staphylococcus Aureus Wang et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Aspergillus Ochraceus no Prokaryota Lentilactobacillus Buchneri maize silage HS-SPME coupled with GC-TOF MS no Prokaryota Lacticaseibacillus Paracasei maize silage HS-SPME coupled with GC-TOF MS no Eukaryota Hanseniaspora Uvarum grape juice LC-15C HPLC no Eukaryota Saccharomycopsis Crataegensis grape juice LC-15C HPLC no Eukaryota Metschnikowia Pulcherrima grape juice LC-15C HPLC no Eukaryota Pichia Kluyveri grape juice LC-15C HPLC no Eukaryota Rhodosporidiobolus Lusitaniae grape juice LC-15C HPLC no Staphylococcus Aureus raw Shiyang chicken HS-GC-IMS/HS-SPME-GC-MS no