CHEBI:168528 - Catechin-4-ol 3-O-beta-D-galactopyranoside

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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-4-ol 3-O-beta-D-galactopyranoside
ChEBI ID CHEBI:168528
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H24O12
Net Charge 0
Average Mass 468.411
Monoisotopic Mass 468.12678
InChI InChI=1S/C21H24O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15-30H,6H2/t13?,15-,16?,17?,18?,19+,20-,21-/m0/s1
InChIKey XVCDTACMJMYHGB-XMAWOQQISA-N
SMILES O([C@@H]1OC([C@H](O)C(O)C1O)CO)[C@@H]2[C@H](OC=3C(C2O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Catechin-4-ol 3-O-beta-D-galactopyranoside (CHEBI:168528) is a flavonoids (CHEBI:72544)
Catechin-4-ol 3-O-beta-D-galactopyranoside (CHEBI:168528) is a glycoside (CHEBI:24400)
IUPAC Name
(2R,3S)-2-(3,4-dihydroxyphenyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromene-4,5,7-triol
Manual Xrefs Databases
24842615 ChemSpider
LMPK12020199 LIPID MAPS
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