CHEBI:136427 - spartioidine N-oxide

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ChEBI Name spartioidine N-oxide
ChEBI ID CHEBI:136427
ChEBI ASCII Name spartioidine N-oxide
Definition A pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12, two oxo substituents at positions 11 and 16 and an N-oxido substituent.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H23NO6
Net Charge 0
Average Mass 349.379
Monoisotopic Mass 349.15254
InChI InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15-,18-,19?/m1/s1
InChIKey COHUFMBRBUPZPA-HPHFTHPTSA-N
SMILES [C@@]12([N+]3(CC[C@H]1OC(/C(/CC(=C)[C@@](C(OCC2=CC3)=O)(C)O)=C/C)=O)[O-])[H]
Metabolite of Species Details
Jacobaea (NCBI:txidtxid405757) Found in leaf (BTO:0000713). See: MetaboLights Study
Jacobaea (NCBI:txidtxid405757) Found in leaf (BTO:0000713). See: DOI
Senecio vulgaris (NCBI:txidtxid76276) See: PubMed
Roles Classification
Biological Role(s): Jacobaea metabolite
Any plant metabolite that is produced by the genus Jacobaea.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing spartioidine N-oxide (CHEBI:136427) has functional parent spartioidine (CHEBI:136405)
spartioidine N-oxide (CHEBI:136427) has role Jacobaea metabolite (CHEBI:139566)
spartioidine N-oxide (CHEBI:136427) is a macrocyclic lactone (CHEBI:63944)
spartioidine N-oxide (CHEBI:136427) is a olefinic compound (CHEBI:78840)
spartioidine N-oxide (CHEBI:136427) is a organic heterotricyclic compound (CHEBI:26979)
spartioidine N-oxide (CHEBI:136427) is a pyrrolizine alkaloid (CHEBI:38521)
spartioidine N-oxide (CHEBI:136427) is a tertiary alcohol (CHEBI:26878)
spartioidine N-oxide (CHEBI:136427) is a tertiary amine oxide (CHEBI:134363)
IUPAC Name
(3E,6R,14aR,14bR)-3-ethylidene-6-hydroxy-6-methyl-5-methylidene-12-oxo-3,4,5,6,11,12,13,14,14a,14b-decahydro-9H-12λ5-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
Synonyms Sources
(15E)-12-hydroxy-13,19-didehydrosenecionan-11,16-dione 4 oxide ChEBI
(15E)-12-hydroxy-13,19-didehydrosenecionan-11,16-dione N-oxide ChEBI
Registry Number Type Source
8233173 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
28828276 PubMed citation Europe PMC
Last Modified
02 February 2018