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CHEBI:182508 - Methyl (1R,11S,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate

Default Structure
ChEBI IDCHEBI:182508
ChEBI NameMethyl (1R,11S,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O2
Net Charge0
Average Mass322.408
Monoisotopic Mass322.16813
SMILES[H][C@@]12C[C@]3([H])N(CC[C@]34C(=C1C(=O)OC)Nc1ccccc14)CC2=CC
InChIInChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/t13-,16-,20+/m0/s1
InChIKeyAGZMFTKKLPHOMT-ZSOFBXJNSA-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)
Methyl (1R,11S,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate (CHEBI:182508) is a alkaloid (CHEBI:22315)
IUPAC Name 
methyl (1R,11S,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Manual XrefsDatabases
390542ChemSpider
C09025KEGG COMPOUND