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CHEBI:132385 - wilfordinine C

ChEBI IDCHEBI:132385
ChEBI Namewilfordinine C
Stars
DefinitionA sesquiterpene alkaloid that is isolated from Tripterygium wilfordii and Tripterygium hypoglaucum.
Last Modified13 July 2016
Submitterliuqingping
DownloadsMolfile
FormulaC43H49NO19
Net Charge0
Average Mass883.853
Monoisotopic Mass883.28988
SMILES[H][C@@]12[C@@H](OC(C)=O)[C@@]34O[C@@]1(C)COC(=O)c1cnccc1[C@@H](C)[C@@](C)(O)C(=O)O[C@@]([H])([C@H](OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
InChIInChI=1S/C43H49NO19/c1-20-27-15-16-44-17-28(27)37(51)56-18-39(7)29-30(57-22(3)46)34(60-25(6)49)42(19-55-21(2)45)35(61-36(50)26-13-11-10-12-14-26)31(58-23(4)47)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(29)59-24(5)48/h10-17,20,29-35,53-54H,18-19H2,1-9H3/t20-,29-,30-,31+,32-,33+,34-,35+,39+,40-,41+,42-,43+/m1/s1
InChIKeyXTKWHABDRIDBLJ-DWELFCMGSA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) - Article (J. Nat. Prod. 2000, 63, 357-361)
Tripterygium wilfordii (ncbitaxon:458696) - Article (J. Nat. Prod. 2000, 63, 357-361)
Roles Classification
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)
wilfordinine C (CHEBI:132385) has role plant metabolite (CHEBI:76924)
wilfordinine C (CHEBI:132385) is a acetate ester (CHEBI:47622)
wilfordinine C (CHEBI:132385) is a benzoate ester (CHEBI:36054)
wilfordinine C (CHEBI:132385) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
wilfordinine C (CHEBI:132385) is a macrolide (CHEBI:25106)
wilfordinine C (CHEBI:132385) is a pyridine alkaloid (CHEBI:26416)
wilfordinine C (CHEBI:132385) is a sesquiterpene alkaloid (CHEBI:26657)
Manual XrefsDatabases
C00046978KNApSAcK
Registry NumbersSources
CAS:262599-04-2KNApSAcK