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CHEBI:228979 - 20-Epi-19,20-dihydro-decarbomethoxy vobasine

ChEBI IDCHEBI:228979
ChEBI Name20-Epi-19,20-dihydro-decarbomethoxy vobasine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N2O
Net Charge0
Average Mass310.441
Monoisotopic Mass310.20451
SMILESCC[C@@]1(C)CN(C)C2Cc3c(nc4ccccc34)C(=O)CC1C2
InChIInChI=1S/C20H26N2O/c1-4-20(2)12-22(3)14-9-13(20)10-18(23)19-16(11-14)15-7-5-6-8-17(15)21-19/h5-8,13-14,21H,4,9-12H2,1-3H3/t13?,14?,20-/m0/s1
InChIKeyMPSCNETWEOFXDJ-DHRDCHLVSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
20-Epi-19,20-dihydro-decarbomethoxy vobasine (CHEBI:228979) is a alkaloid (CHEBI:22315)
IUPAC Name 
(15R)-15-ethyl-15,17-dimethyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-one
Manual XrefsDatabases
4475993ChemSpider