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CHEBI:193390 - (3S)-3',7-dihydroxy-2',4',5',8-tetramethoxyisoflavan

ChEBI IDCHEBI:193390
ChEBI Name(3S)-3',7-dihydroxy-2',4',5',8-tetramethoxyisoflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O7
Net Charge0
Average Mass362.378
Monoisotopic Mass362.13655
SMILES[H][C@]1(c2cc(OC)c(OC)c(O)c2OC)COc2c(ccc(O)c2OC)C1
InChIInChI=1S/C19H22O7/c1-22-14-8-12(17(23-2)15(21)19(14)25-4)11-7-10-5-6-13(20)18(24-3)16(10)26-9-11/h5-6,8,11,20-21H,7,9H2,1-4H3/t11-/m1/s1
InChIKeyWLBRDEZXTKMHFM-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
(3S)-3',7-dihydroxy-2',4',5',8-tetramethoxyisoflavan (CHEBI:193390) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
(3S)-3-(3-hydroxy-2,4,5-trimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
Manual XrefsDatabases
414277ChemSpider
LMPK12080002LIPID MAPS