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CHEBI:58994 - (+)-catechin monohydrate

ChEBI IDCHEBI:58994
ChEBI Name(+)-catechin monohydrate
Stars
DefinitionThe monohydrate of (+)-catechin.
Last Modified23 September 2021
SubmitterSteve
DownloadsMolfile
FormulaC15H14O6.H2O
Net Charge0
Average Mass308.286
Monoisotopic Mass308.08960
SMILESO.Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
InChIInChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1
InChIKeyOFUMQWOJBVNKLR-NQQJLSKUSA-N
Roles Classification
Application:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
ChEBI Ontology
Outgoing Relation(s)
(+)-catechin monohydrate (CHEBI:58994) has part (+)-catechin (CHEBI:15600)
(+)-catechin monohydrate (CHEBI:58994) has role geroprotector (CHEBI:176497)
(+)-catechin monohydrate (CHEBI:58994) is a hydrate (CHEBI:35505)
IUPAC Name 
(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol—water (1/1)
Synonyms  Source
Catechin hydrateChEBI
(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol monohydrateChemIDplus
(+)-catechin hydrateChEBI
Manual XrefsDatabases
97077ChemSpider
Registry NumbersSources
CAS:88191-48-4ChemIDplus
Citations