Wharangin (CHEBI:193321)

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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	Wharangin

ChEBI ID	CHEBI:193321

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H12O8

Net Charge

Average Mass

344.275

Monoisotopic Mass

344.05322

InChI

InChI=1S/C17H12O8/c1-22-17-13(21)12-10(20)5-11-15(24-6-23-11)16(12)25-14(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3

InChIKey

NOZQEJFGIXKUPM-UHFFFAOYSA-N

SMILES

O1C2=C(C(O)=CC=3OCOC23)C(=O)C(OC)=C1C4=CC(O)=C(O)C=C4

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	Wharangin (CHEBI:193321) is a ether (CHEBI:25698) Wharangin (CHEBI:193321) is a flavonoids (CHEBI:72544)

IUPAC Name

8-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-[1,3]dioxolo[4,5-h]chromen-6-one