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CHEBI:190327 - Licorice glycoside A

ChEBI IDCHEBI:190327
ChEBI NameLicorice glycoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H38O16
Net Charge0
Average Mass726.684
Monoisotopic Mass726.21599
SMILESCOc1cc(/C=C/C(=O)OC[C@@]2(O)CO[C@@H](O[C@H]3[C@H](Oc4ccc(/C=C/C(=O)c5ccc(O)cc5O)cc4)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2O)ccc1O
InChIInChI=1S/C36H38O16/c1-47-27-14-20(5-12-25(27)40)6-13-29(42)48-17-36(46)18-49-35(33(36)45)52-32-31(44)30(43)28(16-37)51-34(32)50-22-8-2-19(3-9-22)4-11-24(39)23-10-7-21(38)15-26(23)41/h2-15,28,30-35,37-38,40-41,43-46H,16-18H2,1H3/b11-4+,13-6+/t28-,30-,31+,32-,33+,34-,35+,36-/m1/s1
InChIKeyBYQKEKUAWGGZTQ-PMIHXJGWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Licorice glycoside A (CHEBI:190327) is a flavonoids (CHEBI:72544)
Licorice glycoside A (CHEBI:190327) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate