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CHEBI:187617 - Catechin 7-O-alpha-L-rhamnopyranoside

Default Structure
ChEBI IDCHEBI:187617
ChEBI NameCatechin 7-O-alpha-L-rhamnopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O10
Net Charge0
Average Mass436.413
Monoisotopic Mass436.13695
SMILESCC1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H24O10/c1-8-17(26)18(27)19(28)21(29-8)30-10-5-13(23)11-7-15(25)20(31-16(11)6-10)9-2-3-12(22)14(24)4-9/h2-6,8,15,17-28H,7H2,1H3/t8?,15-,17-,18-,19?,20+,21-/m0/s1
InChIKeyWYWMUTCBNUXJFR-IFQRWNCOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Catechin 7-O-alpha-L-rhamnopyranoside (CHEBI:187617) is a flavonoids (CHEBI:72544)
Catechin 7-O-alpha-L-rhamnopyranoside (CHEBI:187617) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,4S,5R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
24842538ChemSpider
LMPK12020062LIPID MAPS