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CHEBI:190796 - Limocitrin 3-glucoside

ChEBI IDCHEBI:190796
ChEBI NameLimocitrin 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O13
Net Charge0
Average Mass508.432
Monoisotopic Mass508.12169
SMILESCOc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)C(O)C2O)ccc1O
InChIInChI=1S/C23H24O13/c1-32-12-5-8(3-4-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3/t13-,15-,17?,18?,23+/m1/s1
InChIKeyXZGXHUKLGCOGII-YXTZPTRNSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Limocitrin 3-glucoside (CHEBI:190796) is a flavonoids (CHEBI:72544)
Limocitrin 3-glucoside (CHEBI:190796) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12113189LIPID MAPS
24845720ChemSpider