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CHEBI:186398 - Liquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside

Default Structure
ChEBI IDCHEBI:186398
ChEBI NameLiquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O18
Net Charge0
Average Mass712.654
Monoisotopic Mass712.22146
SMILESO=C1C[C@@H](c2ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OCC(O)(CO)[C@@H]3O)cc2)Oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)ccc21
InChIInChI=1S/C32H40O18/c33-9-20-22(37)24(39)26(41)29(48-20)46-15-5-6-16-17(36)8-18(47-19(16)7-15)13-1-3-14(4-2-13)45-30-27(25(40)23(38)21(10-34)49-30)50-31-28(42)32(43,11-35)12-44-31/h1-7,18,20-31,33-35,37-43H,8-12H2/t18-,20?,21?,22+,23+,24-,25-,26?,27?,28+,29+,30+,31-,32?/m0/s1
InChIKeyJUYBMOHJXUXKDN-OGRMCSAWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Liquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside (CHEBI:186398) is a flavonoids (CHEBI:72544)
Liquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside (CHEBI:186398) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-2-[4-[(2S,4S,5S)-3-[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846225ChemSpider
LMPK12140027LIPID MAPS