CHEBI:3702 - Cinchonain 1a

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cinchonain 1a
ChEBI ID CHEBI:3702
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H20O9
Net Charge 0
Average Mass 452.411
Monoisotopic Mass 452.11073
InChI InChI=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
InChIKey LKCOZWLUAKSRQM-UMAWSMADSA-N
SMILES O[C@@H]1Cc2c(O)cc3OC(=O)C[C@H](c4ccc(O)c(O)c4)c3c2O[C@@H]1c1ccc(O)c(O)c1
ChEBI Ontology
Outgoing Cinchonain 1a (CHEBI:3702) is a catechin (CHEBI:23053)
Synonym Source
Cinchonain 1a KEGG COMPOUND
Manual Xrefs Databases
C00002913 KNApSAcK
C10217 KEGG COMPOUND
View more database links
Registry Number Type Source
85081-24-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014