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CHEBI:36312 - sarpagan

ChEBI IDCHEBI:36312
ChEBI Namesarpagan
Stars
Last Modified11 February 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H22N2
Net Charge0
Average Mass278.399
Monoisotopic Mass278.17830
SMILES[H]/C(C)=C1\CN2[C@@]3([H])C[C@]1([H])[C@@]([H])(C)[C@]2([H])Cc1c3nc2ccccc12
InChIInChI=1S/C19H22N2/c1-3-12-10-21-17-9-15-13-6-4-5-7-16(13)20-19(15)18(21)8-14(12)11(17)2/h3-7,11,14,17-18,20H,8-10H2,1-2H3/b12-3-/t11-,14-,17+,18+/m1/s1
InChIKeyIYHCUPNFCQEQJQ-NDFCTVCRSA-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)
sarpagan (CHEBI:36312) is a indole alkaloid (CHEBI:38958)
sarpagan (CHEBI:36312) is a indole alkaloid fundamental parent (CHEBI:38482)
Incoming Relation(s)
10-deoxysarpagine (CHEBI:16060) has functional parent sarpagan (CHEBI:36312)
16-epivellosimine (CHEBI:16425) has parent hydride sarpagan (CHEBI:36312)
sarpagine (CHEBI:9036) has parent hydride sarpagan (CHEBI:36312)
vellosimine (CHEBI:18057) has parent hydride sarpagan (CHEBI:36312)
IUPAC Name 
sarpagan
Registry NumbersSources
Beilstein:759382Beilstein