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CHEBI:181729 - 19-Acetyltabersonine

ChEBI IDCHEBI:181729
ChEBI Name19-Acetyltabersonine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26N2O4
Net Charge0
Average Mass394.471
Monoisotopic Mass394.18926
SMILES[H][C@]12N3CC=C[C@@]1([C@@H](C)OC(C)=O)CC(C(=O)OC)=C1Nc4ccccc4[C@@]12CC3
InChIInChI=1S/C23H26N2O4/c1-14(29-15(2)26)22-9-6-11-25-12-10-23(21(22)25)17-7-4-5-8-18(17)24-19(23)16(13-22)20(27)28-3/h4-9,14,21,24H,10-13H2,1-3H3/t14-,21+,22+,23+/m1/s1
InChIKeyYBXUUELSZBVEKX-HZTRNQAASA-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-Acetyltabersonine (CHEBI:181729) is a alkaloid (CHEBI:22315)
IUPAC Name 
methyl (1R,12S,19R)-12-[(1R)-1-acetyloxyethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Manual XrefsDatabases
28503947ChemSpider