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CHEBI:35638 - 18-oxayohimban

ChEBI IDCHEBI:35638
ChEBI Name18-oxayohimban
Stars
Last Modified19 September 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H22N2O
Net Charge0
Average Mass282.387
Monoisotopic Mass282.17321
SMILES[H][C@@]12COCC[C@@]1([H])C[C@@]1([H])c3nc4ccccc4c3CCN1C2
InChIInChI=1S/C18H22N2O/c1-2-4-16-14(3-1)15-5-7-20-10-13-11-21-8-6-12(13)9-17(20)18(15)19-16/h1-4,12-13,17,19H,5-11H2/t12-,13+,17-/m0/s1
InChIKeyGAGIJETXYAHUIP-AHIWAGSCSA-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)
18-oxayohimban (CHEBI:35638) is a indole alkaloid (CHEBI:38958)
18-oxayohimban (CHEBI:35638) is a indole alkaloid fundamental parent (CHEBI:38482)
Incoming Relation(s)
serpentine (CHEBI:9119) has parent hydride 18-oxayohimban (CHEBI:35638)
IUPAC Name 
18-oxayohimban
Synonyms  Source
oxayohimbanIUPAC
(4aR,13bS,14aR)-1,2,4a,5,7,8,13,13b,14,14a-decahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizineIUPAC