CHEBI:58994 - (+)-catechin monohydrate

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ChEBI Name (+)-catechin monohydrate
ChEBI ID CHEBI:58994
Definition The monohydrate of (+)-catechin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H16O7
Net Charge 0
Average Mass 308.28330
Monoisotopic Mass 308.08960
InChI InChI=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
InChIKey OFUMQWOJBVNKLR-NQQJLSKUSA-N
SMILES O.O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
ChEBI Ontology
Outgoing (+)-catechin monohydrate (CHEBI:58994) has part (+)-catechin (CHEBI:15600)
(+)-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 Sources
(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol monohydrate ChemIDplus
Catechin hydrate ChEBI
Registry Number Type Source
88191-48-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10651166 PubMed citation Europe PMC
24048981 PubMed citation Europe PMC
24825545 PubMed citation Europe PMC
25218093 PubMed citation Europe PMC
Last Modified
21 December 2015