Fusarubinoic acid (CHEBI:222226)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Fusarubinoic acid

ChEBI ID	CHEBI:222226

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H12O8

Net Charge

Average Mass

320.253

Monoisotopic Mass

320.05322

InChI

InChI=1S/C15H12O8/c1-5(16)3-6-9(15(21)22)14(20)10-7(17)4-8(23-2)13(19)11(10)12(6)18/h4,18,20H,3H2,1-2H3,(H,21,22)

InChIKey

JCQVSLPRIQVCHH-UHFFFAOYSA-N

SMILES

O=C1C2=C(O)C(=C(C(=O)O)C(=C2C(=O)C=C1OC)O)CC(=O)C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Fusarubinoic acid (CHEBI:222226) is a naphthoic acid (CHEBI:25483)

IUPAC Name

1,4-dihydroxy-6-methoxy-5,8-dioxo-3-(2-oxopropyl)naphthalene-2-carboxylic acid