Vermiculinic acid (CHEBI:225843)

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CHEBI:225843 - Vermiculinic acid

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ChEBI ID	CHEBI:225843
ChEBI Name	Vermiculinic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H24O8
Net Charge	0
Average Mass	392.404
Monoisotopic Mass	392.14712
SMILES	CC(=O)/C=C/CCC(=O)/C=C/C(=O)O[C@@H](CCC(=O)/C=C/C(=O)O)CC(C)=O
InChI	InChI=1S/C20H24O8/c1-14(21)5-3-4-6-16(23)9-12-20(27)28-18(13-15(2)22)10-7-17(24)8-11-19(25)26/h3,5,8-9,11-12,18H,4,6-7,10,13H2,1-2H3,(H,25,26)/b5-3+,11-8+,12-9+/t18-/m0/s1
InChIKey	BXDWMBHVQJFBPQ-DYAGYSKXSA-N

Species of Metabolite	Component	Source	Comments
Talaromyces flavus var. flavus (ncbitaxon:184875)	-	PubMed (7732055)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Vermiculinic acid (CHEBI:225843) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
(E,7S)-7-[(2E,7E)-4,9-dioxodeca-2,7-dienoyl]oxy-4,9-dioxodec-2-enoic acid

Manual Xrefs	Databases
4944649	ChemSpider