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CHEBI:193399 - Tectorigenin 7-sulfate

ChEBI IDCHEBI:193399
ChEBI NameTectorigenin 7-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O9S
Net Charge0
Average Mass380.330
Monoisotopic Mass380.02020
SMILESCOc1c(OS(=O)(=O)O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O
InChIInChI=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)
InChIKeyKUJUUJDSDSCNMZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
HMDB0041778HMDB
30777651ChemSpider