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CHEBI:37673 - ajmalan

ChEBI IDCHEBI:37673
ChEBI Nameajmalan
Stars
Secondary ChEBI IDsCHEBI:22274, CHEBI:35913
Last Modified10 November 2011
SubmitterKirill Degtyarenko, Marcus Ennis
DownloadsMolfile
FormulaC20H26N2
Net Charge0
Average Mass294.442
Monoisotopic Mass294.20960
SMILES[H][C@@]12N(C)c3ccccc3[C@@]13CC1[C@H](C3)N3C[C@@H](CC)[C@]1([H])C[C@]32[H]
InChIInChI=1S/C20H26N2/c1-3-12-11-22-17-8-13(12)14-9-20(10-18(14)22)15-6-4-5-7-16(15)21(2)19(17)20/h4-7,12-14,17-19H,3,8-11H2,1-2H3/t12-,13+,14?,17+,18+,19+,20+/m1/s1
InChIKeyAJONLKUQHMDAFG-PAPVJSBLSA-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)
ajmalan (CHEBI:37673) is a indole alkaloid (CHEBI:38958)
ajmalan (CHEBI:37673) is a indole alkaloid fundamental parent (CHEBI:38482)
Incoming Relation(s)
ajmaline (CHEBI:28462) has parent hydride ajmalan (CHEBI:37673)
perakine (CHEBI:63168) has parent hydride ajmalan (CHEBI:37673)
raucaffrinoline (CHEBI:63167) has parent hydride ajmalan (CHEBI:37673)
IUPAC Name 
ajmalan
Registry NumbersSources
Beilstein:893162Beilstein