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CHEBI:189500 - Liguiritigenin-7-O-beta-D-apiosyl-4'-O-beta-D-glucoside

ChEBI IDCHEBI:189500
ChEBI NameLiguiritigenin-7-O-beta-D-apiosyl-4'-O-beta-D-glucoside
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)cc2)Oc2cc(O[C@@H]3OC[C@](O)(CO)[C@H]3O)ccc21
InChIInChI=1S/C26H30O13/c27-9-19-20(30)21(31)22(32)24(39-19)36-13-3-1-12(2-4-13)17-8-16(29)15-6-5-14(7-18(15)38-17)37-25-23(33)26(34,10-28)11-35-25/h1-7,17,19-25,27-28,30-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1
InChIKeyKEABDZDFSMGRQX-DWMQJYMWSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
Liguiritigenin-7-O-beta-D-apiosyl-4'-O-beta-D-glucoside (CHEBI:189500) is a flavonoids (CHEBI:72544)
Liguiritigenin-7-O-beta-D-apiosyl-4'-O-beta-D-glucoside (CHEBI:189500) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-7-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Manual XrefsDatabases
34451121ChemSpider