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CHEBI:192021 - Tectorigenin 4'-sulfate

ChEBI IDCHEBI:192021
ChEBI NameTectorigenin 4'-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O9S
Net Charge0
Average Mass380.330
Monoisotopic Mass380.02020
SMILESCOc1c(O)cc2occ(-c3ccc(OS(=O)(=O)O)cc3)c(=O)c2c1O
InChIInChI=1S/C16H12O9S/c1-23-16-11(17)6-12-13(15(16)19)14(18)10(7-24-12)8-2-4-9(5-3-8)25-26(20,21)22/h2-7,17,19H,1H3,(H,20,21,22)
InChIKeyYCLRZPRGSLQMFZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Tectorigenin 4'-sulfate (CHEBI:192021) is a isoflavones (CHEBI:38757)
IUPAC Name 
[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
30777649ChemSpider
HMDB0041777HMDB