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CHEBI:169107 - Limocitrol 3-glucoside

ChEBI IDCHEBI:169107
ChEBI NameLimocitrol 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O14
Net Charge0
Average Mass538.458
Monoisotopic Mass538.13226
SMILESCOc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O[C@H]2O[C@H](CO)[C@@H](O)C(O)C2O)ccc1O
InChIInChI=1S/C24H26O14/c1-33-10-6-8(4-5-9(10)26)19-23(38-24-17(31)16(30)13(27)11(7-25)36-24)15(29)12-14(28)21(34-2)18(32)22(35-3)20(12)37-19/h4-6,11,13,16-17,24-28,30-32H,7H2,1-3H3/t11-,13-,16?,17?,24-/m1/s1
InChIKeyPRBUAZIWXABBBW-RYUWUWGTSA-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)
Limocitrol 3-glucoside (CHEBI:169107) is a flavonoids (CHEBI:72544)
Limocitrol 3-glucoside (CHEBI:169107) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12113320LIPID MAPS
24845812ChemSpider