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CHEBI:192948 - Genistein 7,4'-bis(O-glucosylapioside)

ChEBI IDCHEBI:192948
ChEBI NameGenistein 7,4'-bis(O-glucosylapioside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H46O23
Net Charge0
Average Mass858.752
Monoisotopic Mass858.24299
SMILESO=c1c(-c2ccc(O[C@@H]3OCC(O)(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H]3O)cc2)coc2cc(O[C@@H]3OC[C@@](O)(CO[C@H]4OC(CO)[C@H](O)C(O)C4O)C3O)cc(O)c12
InChIInChI=1S/C37H46O23/c38-7-20-24(42)26(44)28(46)32(59-20)53-10-36(50)12-55-34(30(36)48)57-15-3-1-14(2-4-15)17-9-52-19-6-16(5-18(40)22(19)23(17)41)58-35-31(49)37(51,13-56-35)11-54-33-29(47)27(45)25(43)21(8-39)60-33/h1-6,9,20-21,24-35,38-40,42-51H,7-8,10-13H2/t20?,21?,24-,25+,26+,27?,28?,29?,30-,31?,32-,33+,34+,35+,36?,37+/m1/s1
InChIKeyLOSLKNDENQPHQW-MOQNAXLHSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Genistein 7,4'-bis(O-glucosylapioside) (CHEBI:192948) is a isoflavones (CHEBI:38757)
IUPAC Name 
7-[(2S,4S)-3,4-dihydroxy-4-[[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3-[4-[(2S,3S)-3,4-dihydroxy-4-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxyphenyl]-5-hydroxychromen-4-one
Manual XrefsDatabases
LMPK12050172LIPID MAPS
24842759ChemSpider