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CHEBI:3475 - Cavinine

ChEBI IDCHEBI:3475
ChEBI NameCavinine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H21NO6
Net Charge0
Average Mass347.367
Monoisotopic Mass347.13689
SMILES[H][C@]12O[C@@]1([H])[C@H](OC)C[C@@]1([H])[N@]3Cc4c(cc5c(c4OC)OCO5)[C@]21[C@H](O)C3
InChIInChI=1S/C18H21NO6/c1-21-10-4-12-18(17-16(10)25-17)9-3-11-15(24-7-23-11)14(22-2)8(9)5-19(12)6-13(18)20/h3,10,12-13,16-17,20H,4-7H2,1-2H3/t10-,12-,13-,16+,17+,18+/m1/s1
InChIKeyGKZWOVRDMISXTE-VGYNPPCGSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cavinine (CHEBI:3475) is a alkaloid (CHEBI:22315)
Synonym  Source
CavinineKEGG COMPOUND
Manual XrefsDatabases
C00001568KNApSAcK
C08524KEGG COMPOUND
Registry NumbersSources
CAS:58189-38-1KEGG COMPOUND