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CHEBI:201093 - Genistein 7-O-alpha-4'-anhydro-4',5'-didehydroglucuronide

ChEBI IDCHEBI:201093
ChEBI NameGenistein 7-O-alpha-4'-anhydro-4',5'-didehydroglucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O10
Net Charge0
Average Mass428.349
Monoisotopic Mass428.07435
SMILESO=C(O)C1=C[C@H](O)[C@@H](O)[C@@H](Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)O1
InChIInChI=1S/C21H16O10/c22-10-3-1-9(2-4-10)12-8-29-15-6-11(5-13(23)17(15)18(12)25)30-21-19(26)14(24)7-16(31-21)20(27)28/h1-8,14,19,21-24,26H,(H,27,28)/t14-,19+,21-/m0/s1
InChIKeyWDPSTRJURLRBJC-ZKYUUJBMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26135058)
ChEBI Ontology
Outgoing Relation(s)
Genistein 7-O-alpha-4'-anhydro-4',5'-didehydroglucuronide (CHEBI:201093) is a isoflavones (CHEBI:38757)
IUPAC Name 
(2S,3R,4S)-3,4-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Manual XrefsDatabases
78440844ChemSpider