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CHEBI:168081 - Limocitrin 3-rhamnoside

ChEBI IDCHEBI:168081
ChEBI NameLimocitrin 3-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O12
Net Charge0
Average Mass492.433
Monoisotopic Mass492.12678
SMILESCOc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O
InChIInChI=1S/C23H24O12/c1-8-15(27)17(29)18(30)23(33-8)35-22-16(28)14-11(25)7-12(26)20(32-3)21(14)34-19(22)9-4-5-10(24)13(6-9)31-2/h4-8,15,17-18,23-27,29-30H,1-3H3/t8?,15-,17?,18-,23-/m0/s1
InChIKeyCCEZJODARJJBDK-DQADCKTKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Limocitrin 3-rhamnoside (CHEBI:168081) is a flavonoids (CHEBI:72544)
Limocitrin 3-rhamnoside (CHEBI:168081) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12113209LIPID MAPS
24845740ChemSpider