Altenuic acid IV (CHEBI:227238)

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CHEBI:227238 - Altenuic acid IV

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ChEBI ID	CHEBI:227238
ChEBI Name	Altenuic acid IV
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H14O8
Net Charge	0
Average Mass	322.269
Monoisotopic Mass	322.06887
SMILES	COc1cc(O)c(C(=O)O)c(C(=C/C(=O)O)/C(C)=C\C(=O)O)c1
InChI	InChI=1S/C15H14O8/c1-7(3-12(17)18)9(6-13(19)20)10-4-8(23-2)5-11(16)14(10)15(21)22/h3-6,16H,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b7-3-,9-6+
InChIKey	KGXDIJIFQJMADP-UZQZEERZSA-N

Species of Metabolite	Component	Source	Comments
Alternaria alternata (ncbitaxon:5599)	-	DOI (10.1002/ejoc.201801801)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Altenuic acid IV (CHEBI:227238) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name
(2E,4Z)-3-(2-carboxy-3-hydroxy-5-methoxyphenyl)-4-methylhexa-2,4-dienedioic acid