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CHEBI:191629 - Liquiritin apioside

ChEBI IDCHEBI:191629
ChEBI NameLiquiritin apioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O13
Net Charge0
Average Mass550.513
Monoisotopic Mass550.16864
SMILESO=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1
InChIKeyFTVKHUHJWDMWIR-DWMQJYMWSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Liquiritin apioside (CHEBI:191629) is a flavonoids (CHEBI:72544)
Liquiritin apioside (CHEBI:191629) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
8251776ChemSpider
Registry NumbersSources
CAS:74639-14-8ChemIDplus