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CHEBI:6956 - Mitragynine

ChEBI IDCHEBI:6956
ChEBI NameMitragynine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H30N2O4
Net Charge0
Average Mass398.503
Monoisotopic Mass398.22056
SMILES[H][C@@]12C[C@H](/C(=C\OC)C(=O)OC)[C@H](CC)CN1CCc1c2nc2cccc(OC)c12
InChIInChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
InChIKeyLELBFTMXCIIKKX-QVRQZEMUSA-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)
Mitragynine (CHEBI:6956) is a monoterpenoid indole alkaloid (CHEBI:65323)
Synonym  Source
MitragynineKEGG COMPOUND
Manual XrefsDatabases
C09226KEGG COMPOUND
C00001751KNApSAcK
HMDB0041933HMDB
Registry NumbersSources
CAS:4098-40-2KEGG COMPOUND