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CHEBI:36330 - senecionan

ChEBI IDCHEBI:36330
ChEBI Namesenecionan
Stars
Last Modified29 April 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H29NO2
Net Charge0
Average Mass291.435
Monoisotopic Mass291.21983
SMILES[H]/C(C)=C1/CO[C@@H]2CCN3CC=C(COC[C@@H](C)[C@H](C)C1)[C@]23[H]
InChIInChI=1S/C18H29NO2/c1-4-15-9-13(2)14(3)10-20-12-16-5-7-19-8-6-17(18(16)19)21-11-15/h4-5,13-14,17-18H,6-12H2,1-3H3/b15-4-/t13-,14-,17-,18-/m1/s1
InChIKeyHJOOXTWCVPOHPT-MNHUKLIDSA-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)
senecionan (CHEBI:36330) is a alkaloid fundamental parent (CHEBI:35506)
senecionan (CHEBI:36330) is a pyrrolizine alkaloid (CHEBI:38521)
Incoming Relation(s)
erucifoline (CHEBI:136462) has functional parent senecionan (CHEBI:36330)
riddelliine (CHEBI:63924) has functional parent senecionan (CHEBI:36330)
senecionine (CHEBI:9107) has functional parent senecionan (CHEBI:36330)
IUPAC Name 
senecionan
Synonym  Source
(3Z,5R,6S,14aR,14bR)-3-ethylidene-5,6-dimethyl-2,3,4,5,6,7,9,11,13,14,14a,14b-dodecahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizineIUPAC