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CHEBI:168186 - Epicatechin 3-O-beta-D-allopyranoside

ChEBI IDCHEBI:168186
ChEBI NameEpicatechin 3-O-beta-D-allopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESOC[C@H]1O[C@@H](O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-5,15-29H,6-7H2/t15-,16-,17-,18?,19?,20-,21-/m1/s1
InChIKeyYOVYWMDLYSJYPO-MRAFHSIWSA-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)
Epicatechin 3-O-beta-D-allopyranoside (CHEBI:168186) is a flavonoids (CHEBI:72544)
Epicatechin 3-O-beta-D-allopyranoside (CHEBI:168186) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,5S,6R)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
24842524ChemSpider
LMPK12020047LIPID MAPS