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CHEBI:2531 - Akuammidine

ChEBI IDCHEBI:2531
ChEBI NameAkuammidine
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILES[H][C@@]12C[C@H]3/C(=C\C)CN1[C@@H](Cc1c2nc2ccccc12)C3(CO)C(=O)OC
InChIInChI=1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17-,18-,21?/m0/s1
InChIKeyRCEFXZXHYFOPIE-WBOATDDDSA-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)
Akuammidine (CHEBI:2531) is a indole alkaloid (CHEBI:38958)
Akuammidine (CHEBI:2531) is a methyl ester (CHEBI:25248)
Synonyms  Source
AkuammidineKEGG COMPOUND
RhazinKEGG COMPOUND
Manual XrefsDatabases
C09026KEGG COMPOUND
C00001681KNApSAcK
Registry NumbersSources
CAS:639-36-1KEGG COMPOUND