8-Hydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid (CHEBI:174248)

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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	8-Hydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid

ChEBI ID	CHEBI:174248

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H12O6

Net Charge

Average Mass

312.277

Monoisotopic Mass

312.06339

InChI

InChI=1S/C17H12O6/c1-7-12-9(6-11(23-2)13(7)17(21)22)15(19)8-4-3-5-10(18)14(8)16(12)20/h3-6,18H,1-2H3,(H,21,22)

InChIKey

QYKOMVRHNZHDBN-UHFFFAOYSA-N

SMILES

O(C1=C(C(=C2C(C(=O)C3=C(C2=O)C(O)=CC=C3)=C1)C)C(O)=O)C

ChEBI Ontology
Outgoing	8-Hydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid (CHEBI:174248) is a anthracenes (CHEBI:46955)

IUPAC Name

8-hydroxy-3-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid