EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:36372 - vobasan

ChEBI IDCHEBI:36372
ChEBI Namevobasan
Stars
Last Modified12 June 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC20H26N2
Net Charge0
Average Mass294.442
Monoisotopic Mass294.20960
SMILES[H]/C(C)=C1\CN(C)[C@]2([H])Cc3c(nc4ccccc34)CC[C@]1([H])[C@]2([H])C
InChIInChI=1S/C20H26N2/c1-4-14-12-22(3)20-11-17-16-7-5-6-8-18(16)21-19(17)10-9-15(14)13(20)2/h4-8,13,15,20-21H,9-12H2,1-3H3/b14-4-/t13-,15+,20+/m0/s1
InChIKeyIXXKGILOHWFLII-WASXRUECSA-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)
vobasan (CHEBI:36372) is a indole alkaloid (CHEBI:38958)
vobasan (CHEBI:36372) is a indole alkaloid fundamental parent (CHEBI:38482)
Incoming Relation(s)
vobasine (CHEBI:10015) has parent hydride vobasan (CHEBI:36372)
IUPAC Name 
vobasan