4,5,6-Trihydroxy-7-methylphthalide (CHEBI:199987)

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CHEBI:199987 - 4,5,6-Trihydroxy-7-methylphthalide

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ChEBI ID	CHEBI:199987
ChEBI Name	4,5,6-Trihydroxy-7-methylphthalide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H8O5
Net Charge	0
Average Mass	196.158
Monoisotopic Mass	196.03717
SMILES	Cc1c(O)c(O)c(O)c2c1C(=O)OC2
InChI	InChI=1S/C9H8O5/c1-3-5-4(2-14-9(5)13)7(11)8(12)6(3)10/h10-12H,2H2,1H3
InChIKey	RABLYBQDMDORFH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Epicoccumspecies (ncbitaxon:1859956)	-	PubMed (14598209)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	4,5,6-Trihydroxy-7-methylphthalide (CHEBI:199987) is a trihydroxybenzoic acid (CHEBI:27115)

IUPAC Name
4,5,6-trihydroxy-7-methyl-3H-2-benzouran-1-one

Manual Xrefs	Databases
8595625	ChemSpider