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CHEBI:167982 - Catechin-4-ol 3-O-alpha-L-rhamnopyranoside

ChEBI IDCHEBI:167982
ChEBI NameCatechin-4-ol 3-O-alpha-L-rhamnopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESCC1O[C@@H](O[C@H]2C(O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C21H24O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15-29H,1H3/t7?,15-,16?,17?,18-,19+,20-,21-/m0/s1
InChIKeyLMLPGLGFMZTXHQ-XMYGLSBESA-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)
Catechin-4-ol 3-O-alpha-L-rhamnopyranoside (CHEBI:167982) is a flavonoids (CHEBI:72544)
Catechin-4-ol 3-O-alpha-L-rhamnopyranoside (CHEBI:167982) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S)-2-(3,4-dihydroxyphenyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-chromene-4,5,7-triol
Manual XrefsDatabases
LMPK12020201LIPID MAPS
24842617ChemSpider