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CHEBI:132631 - senbusine A

ChEBI IDCHEBI:132631
ChEBI Namesenbusine A
Stars
DefinitionA diterpene alkaloid with formula C23H37NO6 that is isolated from several Aconitum species.
Last Modified25 November 2016
Submitterliuqingping
DownloadsMolfile
FormulaC23H37NO6
Net Charge0
Average Mass423.550
Monoisotopic Mass423.26209
SMILES[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@]1([H])C2N(CC)C[C@]4(COC)CC[C@H](O)[C@@]23[C@]4([H])[C@H]1O
InChIInChI=1S/C23H37NO6/c1-4-24-9-21(10-29-2)6-5-14(25)23-12-7-11-13(30-3)8-22(28,15(12)17(11)26)16(20(23)24)18(27)19(21)23/h11-20,25-28H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17+,18+,19-,20?,21+,22-,23+/m1/s1
InChIKeyFNRMXORIKJLSGX-LZJIYQGWSA-N
Species of MetaboliteComponentSourceComments
Aconitum hemsleyanum var. circinatum (ncbitaxon:632157) root (BTO:0001188) PubMed (17432903)
Aconitum napellus (ncbitaxon:112591) - PubMed (23876370)
Aconitum soongaricum (ncbitaxon:568276) root (BTO:0001188) PubMed (27328130)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
senbusine A (CHEBI:132631) has parent hydride aconitane (CHEBI:35911)
senbusine A (CHEBI:132631) has role plant metabolite (CHEBI:76924)
senbusine A (CHEBI:132631) is a bridged compound (CHEBI:35990)
senbusine A (CHEBI:132631) is a diether (CHEBI:46786)
senbusine A (CHEBI:132631) is a diterpene alkaloid (CHEBI:23847)
senbusine A (CHEBI:132631) is a organic heteropolycyclic compound (CHEBI:38166)
senbusine A (CHEBI:132631) is a secondary alcohol (CHEBI:35681)
senbusine A (CHEBI:132631) is a tertiary alcohol (CHEBI:26878)
senbusine A (CHEBI:132631) is a tertiary amino compound (CHEBI:50996)
senbusine A (CHEBI:132631) is a tetrol (CHEBI:33573)
IUPAC Name 
20-ethyl-16β-methoxy-4-(methoxymethyl)aconitane-1α,6α,8,14α-tetrol
Synonym  Source
(1α,6α,14α,16β)-20-ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,6,8,14-tetrolIUPAC
Manual XrefsDatabases
C00028990KNApSAcK
Registry NumbersSources
Reaxys:6874599Reaxys
Reaxys:7827809Reaxys
Reaxys:22870075Reaxys
CAS:82202-95-7KNApSAcK
CAS:82202-95-7ChemIDplus
Citations