EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:801 - 19-epi-Ajmalicine

ChEBI IDCHEBI:801
ChEBI Name19-epi-Ajmalicine
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILES[H][C@@]12C[C@]3([H])C(C(=O)OC)=CO[C@H](C)[C@@]3([H])CN1CCc1c2nc2ccccc12
InChIInChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15+,16-,19+/m1/s1
InChIKeyGRTOGORTSDXSFK-XIEZEKGWSA-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)
19-epi-Ajmalicine (CHEBI:801) is a methyl ester (CHEBI:25248)
19-epi-Ajmalicine (CHEBI:801) is a yohimban alkaloid (CHEBI:27358)
Synonym  Source
19-epi-AjmalicineKEGG COMPOUND
Manual XrefsDatabases
C11683KEGG COMPOUND
C00025138KNApSAcK
Registry NumbersSources
CAS:25532-45-0KEGG COMPOUND