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CHEBI:192063 - Licorice glycoside C1

ChEBI IDCHEBI:192063
ChEBI NameLicorice glycoside C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H38O16
Net Charge0
Average Mass726.684
Monoisotopic Mass726.21599
SMILESCOc1cc(/C=C/C(=O)OCC2(O)CO[C@@H](OC3[C@H](Oc4ccc([C@H]5CC(=O)c6ccc(O)cc6O5)cc4)OC(CO)[C@@H](O)[C@@H]3O)[C@H]2O)ccc1O
InChIInChI=1S/C36H38O16/c1-46-27-12-18(2-10-23(27)39)3-11-29(41)47-16-36(45)17-48-35(33(36)44)52-32-31(43)30(42)28(15-37)51-34(32)49-21-7-4-19(5-8-21)25-14-24(40)22-9-6-20(38)13-26(22)50-25/h2-13,25,28,30-35,37-39,42-45H,14-17H2,1H3/b11-3+/t25-,28?,30-,31+,32?,33-,34-,35+,36?/m1/s1
InChIKeyGSIREHLZHMQJNR-WAGMDUJWSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Licorice glycoside C1 (CHEBI:192063) is a flavonoids (CHEBI:72544)
Licorice glycoside C1 (CHEBI:192063) is a glycoside (CHEBI:24400)
IUPAC Name 
[(4S,5S)-5-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
24846228ChemSpider
LMPK12140030LIPID MAPS