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CHEBI:182685 - Pericyclivine-N-oxide

ChEBI IDCHEBI:182685
ChEBI NamePericyclivine-N-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O3
Net Charge0
Average Mass338.407
Monoisotopic Mass338.16304
SMILES[H][C@@]12C[C@@]3([H])c4nc5ccccc5c4C[C@@]([H])([C@H]1C(=O)OC)[N@@+]3([O-])C/C2=C/C
InChIInChI=1S/C20H22N2O3/c1-3-11-10-22(24)16-9-14-12-6-4-5-7-15(12)21-19(14)17(22)8-13(11)18(16)20(23)25-2/h3-7,13,16-18,21H,8-10H2,1-2H3/b11-3-/t13-,16-,17-,18-,22-/m0/s1
InChIKeyWYBUDADHKWEMSX-RYJPBUSGSA-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)
Pericyclivine-N-oxide (CHEBI:182685) is a indole alkaloid (CHEBI:38958)
IUPAC Name 
methyl (1S,12S,13S,14R,15E,17S)-15-ethylidene-17-oxido-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate