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CHEBI:186741 - 8-C-Glucopyranosylgenistein 6''-O-apioside

ChEBI IDCHEBI:186741
ChEBI Name8-C-Glucopyranosylgenistein 6''-O-apioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O14
Net Charge0
Average Mass564.496
Monoisotopic Mass564.14791
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H28O14/c27-8-26(36)9-39-25(24(26)35)38-7-15-19(32)20(33)21(34)23(40-15)17-14(30)5-13(29)16-18(31)12(6-37-22(16)17)10-1-3-11(28)4-2-10/h1-6,15,19-21,23-25,27-30,32-36H,7-9H2/t15-,19-,20+,21-,23+,24+,25-,26-/m1/s1
InChIKeyHLCONXCNZYLRRC-VODXPUHMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
8-C-Glucopyranosylgenistein 6''-O-apioside (CHEBI:186741) is a C-glycosyl compound (CHEBI:20857)
8-C-Glucopyranosylgenistein 6''-O-apioside (CHEBI:186741) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
8-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12050164LIPID MAPS
24842751ChemSpider