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CHEBI:2503 - Affinisine

ChEBI IDCHEBI:2503
ChEBI NameAffinisine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H24N2O
Net Charge0
Average Mass308.425
Monoisotopic Mass308.18886
SMILES[H]C1(CO)[C@@H]2Cc3c(n(C)c4ccccc34)[C@]3([H])C[C@H]1/C(=C\C)CN23
InChIInChI=1S/C20H24N2O/c1-3-12-10-22-18-9-15-13-6-4-5-7-17(13)21(2)20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,23H,8-11H2,1-2H3/b12-3-/t14-,16?,18-,19-/m0/s1
InChIKeyUVWQYWHKTZABSO-FZGOZLGSSA-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)
Affinisine (CHEBI:2503) is a indole alkaloid (CHEBI:38958)
Synonym  Source
AffinisineKEGG COMPOUND
Manual XrefsDatabases
C09022KEGG COMPOUND
C00001676KNApSAcK
Registry NumbersSources
CAS:2912-11-0KEGG COMPOUND