CHEBI:187017 - Catechin 3'-O-beta-D-glucopyranoside

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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-beta-D-glucopyranoside
ChEBI ID CHEBI:187017
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O11
Net Charge 0
Average Mass 452.412
Monoisotopic Mass 452.13186
InChI InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16?,17+,18?,19?,20+,21+/m0/s1
InChIKey ZZTOVZGFHZQEAT-NNPRWLJOSA-N
SMILES O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C=C([C@H]3OC=4C(C[C@@H]3O)=C(O)C=C(O)C4)C=CC2O)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Catechin 3'-O-beta-D-glucopyranoside (CHEBI:187017) is a flavonoids (CHEBI:72544)
Catechin 3'-O-beta-D-glucopyranoside (CHEBI:187017) is a glycoside (CHEBI:24400)
IUPAC Name
(2R,3S)-2-[4-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual Xrefs Databases
24842539 ChemSpider
LMPK12020063 LIPID MAPS
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