Nectriacid A (CHEBI:211992)

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CHEBI:211992 - Nectriacid A

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ChEBI ID	CHEBI:211992
ChEBI Name	Nectriacid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H18O4
Net Charge	0
Average Mass	262.305
Monoisotopic Mass	262.12051
SMILES	CC(/C=C/C(=O)O)=C\C=C\C(C)=C\C(C)=C\C(=O)O
InChI	InChI=1S/C15H18O4/c1-11(7-8-14(16)17)5-4-6-12(2)9-13(3)10-15(18)19/h4-10H,1-3H3,(H,16,17)(H,18,19)/b6-4+,8-7+,11-5+,12-9+,13-10+
InChIKey	ZUFWMVGBPCQMRJ-ORXCQCOUSA-N

Species of Metabolite	Component	Source	Comments
Nectriaspecies HN001 (ncbitaxon:1856692)	-	PubMed (27136568)

ChEBI Ontology

Outgoing Relation(s)
	Nectriacid A (CHEBI:211992) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(2E,4E,6E,8E,10E)-3,5,9-trimethyldodeca-2,4,6,8,10-pentaenedioic acid

Manual Xrefs	Databases
58196843	ChemSpider