Tectorigenin 7-sulfate (CHEBI:193399)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Tectorigenin 7-sulfate

ChEBI ID	CHEBI:193399

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H12O9S

Net Charge

Average Mass

380.320

Monoisotopic Mass

380.02020

InChI

InChI=1S/C16H12O9S/c1-23-16-12(25-26(20,21)22)6-11-13(15(16)19)14(18)10(7-24-11)8-2-4-9(17)5-3-8/h2-7,17,19H,1H3,(H,20,21,22)

InChIKey

KUJUUJDSDSCNMZ-UHFFFAOYSA-N

SMILES

S(OC1=C(OC)C(O)=C2C(OC=C(C2=O)C3=CC=C(O)C=C3)=C1)(O)(=O)=O

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

ChEBI Ontology
Outgoing	Tectorigenin 7-sulfate (CHEBI:193399) is a isoflavones (CHEBI:38757)

IUPAC Name

[5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl] hydrogen sulate