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CHEBI:188116 - Licorice glycoside E

ChEBI IDCHEBI:188116
ChEBI NameLicorice glycoside E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H35NO14
Net Charge0
Average Mass693.658
Monoisotopic Mass693.20575
SMILESO=C1C[C@@H](c2ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OCC(O)(COC(=O)c4cnc5ccccc45)[C@@H]3O)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C35H35NO14/c37-14-27-28(40)29(41)30(50-34-31(42)35(44,16-46-34)15-45-32(43)22-13-36-23-4-2-1-3-20(22)23)33(49-27)47-19-8-5-17(6-9-19)25-12-24(39)21-10-7-18(38)11-26(21)48-25/h1-11,13,25,27-31,33-34,36-38,40-42,44H,12,14-16H2/t25-,27?,28+,29-,30?,31+,33+,34-,35?/m0/s1
InChIKeyGNJDLKNJCWOSBO-LKYFMKHGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Licorice glycoside E (CHEBI:188116) is a flavonoids (CHEBI:72544)
Licorice glycoside E (CHEBI:188116) is a glycoside (CHEBI:24400)
IUPAC Name 
[(4S,5S)-5-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 1H-indole-3-carboxylate
Manual XrefsDatabases
24846230ChemSpider
LMPK12140032LIPID MAPS