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CHEBI:66358 - Vilmorrianone

ChEBI IDCHEBI:66358
ChEBI NameVilmorrianone
Stars
DefinitionA natural product found in Aconitum vilmorinianum and Delphinium denudatum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H27NO5
Net Charge0
Average Mass397.471
Monoisotopic Mass397.18892
SMILES[H][C@]12C[C@]3([H])[C@@]4(CC1=C)C(=O)C(=O)[C@]1([H])[C@@]5(C)C[C@H](OC(C)=O)C[C@@]31[C@]([H])(N(C)C5)[C@@]4([H])C2=O
InChIInChI=1S/C23H27NO5/c1-10-6-22-14-5-13(10)16(26)15(22)19-23(14)8-12(29-11(2)25)7-21(3,9-24(19)4)18(23)17(27)20(22)28/h12-15,18-19H,1,5-9H2,2-4H3/t12-,13-,14+,15+,18+,19+,21-,22+,23+/m0/s1
InChIKeyMCKIOPXSFPCTTR-NGELOBKFSA-N
Species of MetaboliteComponentSourceComments
Aconitum vilmorinianum (ncbitaxon:226101) root (BTO:0001188) PubMed (17226159)
Delphinium denudatum (IPNI:710557-1) root (BTO:0001188) PubMed (9170290)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
Vilmorrianone (CHEBI:66358) has role metabolite (CHEBI:25212)
Vilmorrianone (CHEBI:66358) is a diterpene alkaloid (CHEBI:23847)
Citations