CHEBI:36330 - senecionan

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ChEBI Name senecionan
ChEBI ID CHEBI:36330
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H29NO2
Net Charge 0
Average Mass 291.429
Monoisotopic Mass 291.21983
InChI InChI=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
InChIKey HJOOXTWCVPOHPT-MNHUKLIDSA-N
SMILES C1OCC=2[C@@]3([C@H](OC/C(/C[C@H]([C@@H]1C)C)=C(/[H])\C)CCN3CC2)[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing senecionan (CHEBI:36330) is a alkaloid fundamental parent (CHEBI:35506)
senecionan (CHEBI:36330) is a pyrrolizine alkaloid (CHEBI:38521)
Incoming 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]pyrrolizine IUPAC
Last Modified
29 April 2018