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CHEBI:212824 - Daidzein 7-O-alpha-4'-anhydro-4',5'-didehydroglucuronide

ChEBI IDCHEBI:212824
ChEBI NameDaidzein 7-O-alpha-4'-anhydro-4',5'-didehydroglucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O9
Net Charge0
Average Mass412.350
Monoisotopic Mass412.07943
SMILESO=C(O)C1=C[C@H](O)[C@@H](O)[C@@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)O1
InChIInChI=1S/C21H16O9/c22-11-3-1-10(2-4-11)14-9-28-16-7-12(5-6-13(16)18(14)24)29-21-19(25)15(23)8-17(30-21)20(26)27/h1-9,15,19,21-23,25H,(H,26,27)/t15-,19+,21-/m0/s1
InChIKeyXDIWRWQSZCWABS-DLVCFXQMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26135058)
ChEBI Ontology
Outgoing Relation(s)
Daidzein 7-O-alpha-4'-anhydro-4',5'-didehydroglucuronide (CHEBI:212824) is a isoflavones (CHEBI:38757)
IUPAC Name 
(2S,3R,4S)-3,4-dihydroxy-2-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Manual XrefsDatabases
78441323ChemSpider