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CHEBI:66726 - Panicutine

ChEBI IDCHEBI:66726
ChEBI NamePanicutine
Stars
DefinitionA natural product found in Aconitum paniculatum and Delphinium denudatum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H29NO4
Net Charge0
Average Mass383.488
Monoisotopic Mass383.20966
SMILES[H][C@]12C[C@]3([H])[C@@]4(CC1=C)CC(=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/C23H29NO4/c1-11-6-22-9-15(26)19-21(3)7-13(28-12(2)25)8-23(19)16(22)5-14(11)18(27)17(22)20(23)24(4)10-21/h13-14,16-17,19-20H,1,5-10H2,2-4H3/t13-,14-,16+,17+,19+,20+,21-,22+,23+/m0/s1
InChIKeyCKNLFSFBGRRFCB-OETVPYRWSA-N
Species of MetaboliteComponentSourceComments
Aconitum paniculatum (IPNI:707675-1) - DOI (10.1002/hlca.19820650130)
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)
Panicutine (CHEBI:66726) has role metabolite (CHEBI:25212)
Panicutine (CHEBI:66726) is a diterpene alkaloid (CHEBI:23847)
Citations