CHEBI:132385 - wilfordinine C

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ChEBI Name wilfordinine C
ChEBI ID CHEBI:132385
Definition A sesquiterpene alkaloid that is isolated from Tripterygium wilfordii and Tripterygium hypoglaucum.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C43H49NO19
Net Charge 0
Average Mass 883.846
Monoisotopic Mass 883.28988
InChI InChI=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
InChIKey XTKWHABDRIDBLJ-DWELFCMGSA-N
SMILES [C@@]1(C(O[C@@]2([C@](O)([C@@]34[C@H](OC(C)=O)[C@@]([H])([C@H]([C@H]([C@@]3([C@@H](OC(C=5C=CC=CC5)=O)[C@H]2OC(C)=O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C6=C([C@H]1C)C=CN=C6)=O)(C)O4)C)[H])=O)(C)O
Metabolite of Species Details
Tripterygium hypoglaucum (NCBI:txid205465) See: J. Nat. Prod. 2000, 63, 357-361
Tripterygium wilfordii (NCBI:txid458696) See: J. Nat. Prod. 2000, 63, 357-361
Roles Classification
Biological Role(s): 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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
C00046978 KNApSAcK
View more database links
Registry Number Type Source
262599-04-2 CAS Registry Number KNApSAcK
Last Modified
13 July 2016