Mearnsetin (CHEBI:196346)

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ChEBI Ontology

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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	Mearnsetin

ChEBI ID	CHEBI:196346

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H12O8

Net Charge

Average Mass

332.264

Monoisotopic Mass

332.05322

InChI

InChI=1S/C16H12O8/c1-23-16-9(19)2-6(3-10(16)20)15-14(22)13(21)12-8(18)4-7(17)5-11(12)24-15/h2-5,17-20,22H,1H3

InChIKey

HKEQVXVLTOSXLQ-UHFFFAOYSA-N

SMILES

O1C(C2=CC(O)=C(OC)C(O)=C2)=C(O)C(=O)C=3C1=CC(O)=CC3O

ChEBI Ontology
Outgoing	Mearnsetin (CHEBI:196346) is a hydroxyflavan (CHEBI:72010)

IUPAC Name

2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxychromen-4-one