EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:190343 - Licoagroside A

ChEBI IDCHEBI:190343
ChEBI NameLicoagroside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O12
Net Charge0
Average Mass492.433
Monoisotopic Mass492.12678
SMILESCOc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2coc3cc(O)c(OC)cc3c2=O)cc1O
InChIInChI=1S/C23H24O12/c1-31-16-4-10-14(5-13(16)26)33-8-11(19(10)27)9-3-12(25)17(32-2)6-15(9)34-23-22(30)21(29)20(28)18(7-24)35-23/h3-6,8,18,20-26,28-30H,7H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1
InChIKeyRQLOWOYMKFVTBB-DODNOZFWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Licoagroside A (CHEBI:190343) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
7-hydroxy-3-[5-hydroxy-4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6-methoxychromen-4-one
Manual XrefsDatabases
30838007ChemSpider