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CHEBI:186774 - Isoembigenin

ChEBI IDCHEBI:186774
ChEBI NameIsoembigenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O10
Net Charge0
Average Mass460.435
Monoisotopic Mass460.13695
SMILES[H][C@@]1(c2c(OC)cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc23)OC(CO)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C23H24O10/c1-30-11-5-3-10(4-6-11)14-7-12(25)17-13(26)8-15(31-2)18(22(17)32-14)23-21(29)20(28)19(27)16(9-24)33-23/h3-8,16,19-21,23-24,26-29H,9H2,1-2H3/t16?,19-,20-,21?,23-/m0/s1
InChIKeyWVIGZMYXVSPZIR-RSEIVKCDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Isoembigenin (CHEBI:186774) is a C-glycosyl compound (CHEBI:20857)
Isoembigenin (CHEBI:186774) is a flavonoids (CHEBI:72544)
IUPAC Name 
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-8-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Manual XrefsDatabases
24843979ChemSpider
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