EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191437 - Catechin 3'-glucoside

ChEBI IDCHEBI:191437
ChEBI NameCatechin 3'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESOCC1OC(Oc2cc(C3Oc4cc(O)cc(O)c4CC3O)ccc2O)C(O)C(O)C1O
InChIInChI=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
InChIKeyZZTOVZGFHZQEAT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Catechin 3'-glucoside (CHEBI:191437) is a flavonoids (CHEBI:72544)
Catechin 3'-glucoside (CHEBI:191437) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
HMDB0037946HMDB