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Details of Octadecatrienoic acid methylester, 9,12,15-(Z,Z,Z)-, n-

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Role	Analyte
name	Octadecatrienoic acid methylester, 9,12,15-(Z,Z,Z)-, n-
MPIMP ID	A212010
isotopomer	ambient
formula	C19H32O2
molecular mass	292.457
monoisotopic mass	292.24023
InChI	InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey	DVWSXZIHSUZZKJ-YSTUJMKBSA-N
substructure TMS	0
substructure TBS	0
substructure H3ON	0
substructure CH3O	1
retention index (VAR5 method, n-alkanes C10–C36)	2,120.01
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%275f1b0676-8bdb-4469-8382-439b26ad6919%27)

Synonyms of Octadecatrienoic acid methylester, 9,12,15-(Z,Z,Z)-, n-

property	value
CAS	301-00-8
ChemSpider ID	4477947
Method [J Kopka]	Methylation
PubChem CID	5319706
PubChem SID	92298669
synonym	Linolenic acid methyl ester
synonym	Octadecatrienoic acid methylester, 9,12,15-(Z,Z,Z)-
synonym	Octadecatrienoic acid methylester, 9,12,15-(Z,Z,Z)-, n-
8 synonym(s)

Metabolite mapped to Octadecatrienoic acid methylester, 9,12,15-(Z,Z,Z)-, n-

metabolite	stereoisomer	isotopomer
Octadecatrienoic acid methylester, 9,12,15-(Z,Z,Z)-, n-	n-	ambient
1 metabolite(s)

Reference spectra of Octadecatrienoic acid methylester, 9,12,15-(Z,Z,Z)-, n-

replica	entry date	method	species
1	9/7/2004 12:00:00 AM	M[6]	Standard Addition
2	3/30/2011 4:52:37 PM	Fiehn_GC_2010
3	8/28/2012 5:51:49 PM	MassBank GC 2010 Ara
3 spectrum(a)

compound timestamp information
deposited	at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

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