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CHEBI:3702 - Cinchonain 1a

ChEBI IDCHEBI:3702
ChEBI NameCinchonain 1a
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H20O9
Net Charge0
Average Mass452.415
Monoisotopic Mass452.11073
SMILESO=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1
InChIInChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1
InChIKeyLKCOZWLUAKSRQM-UMAWSMADSA-N
ChEBI Ontology
Outgoing Relation(s)
Cinchonain 1a (CHEBI:3702) is a catechin (CHEBI:23053)
Synonym  Source
Cinchonain 1aKEGG COMPOUND
Manual XrefsDatabases
C10217KEGG COMPOUND
C00002913KNApSAcK
Registry NumbersSources
CAS:85081-24-9KEGG COMPOUND