CHEBI:193316 - Catechin 3-O-alpha-L-rhamnoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Catechin 3-O-alpha-L-rhamnoside
ChEBI ID CHEBI:193316
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O10
Net Charge 0
Average Mass 436.413
Monoisotopic Mass 436.13695
InChI InChI=1S/C21H24O10/c1-8-17(26)18(27)19(28)21(29-8)31-16-7-11-13(24)5-10(22)6-15(11)30-20(16)9-2-3-12(23)14(25)4-9/h2-6,8,16-28H,7H2,1H3/t8?,16-,17-,18?,19-,20+,21-/m0/s1
InChIKey KYLFHITXPCWYAL-SEXZSWSNSA-N
SMILES O([C@@H]1OC([C@H](O)C(O)[C@@H]1O)C)[C@@H]2[C@H](OC=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Catechin 3-O-alpha-L-rhamnoside (CHEBI:193316) is a flavonoids (CHEBI:72544)
Catechin 3-O-alpha-L-rhamnoside (CHEBI:193316) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3S,5R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-methyloxane-3,4,5-triol
Manual Xrefs Databases
24842529 ChemSpider
LMPK12020052 LIPID MAPS
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