CHEBI:132383 - wilfordinine A

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ChEBI Name wilfordinine A
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 C36H45NO17
Net Charge 0
Average Mass 763.740
Monoisotopic Mass 763.26875
InChI InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-25(43)29(51-20(6)41)35(14-47-17(3)38)30(52-21(7)42)26(49-18(4)39)24-27(50-19(5)40)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15-,16-,24+,25-,26+,27+,28-,29-,30+,33-,34-,35-,36-/m0/s1
SMILES [C@H]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(=O)C)[C@H]2O)COC(=O)C)OC(=O)C)OC(C)=O)[C@@](COC(C5=C([C@H]1C)C=CN=C5)=O)(C)O4)C)[H])=O)C
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.
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing wilfordinine A (CHEBI:132383) has role plant metabolite (CHEBI:76924)
wilfordinine A (CHEBI:132383) is a acetate ester (CHEBI:47622)
wilfordinine A (CHEBI:132383) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
wilfordinine A (CHEBI:132383) is a macrolide (CHEBI:25106)
wilfordinine A (CHEBI:132383) is a pyridine alkaloid (CHEBI:26416)
wilfordinine A (CHEBI:132383) is a sesquiterpene alkaloid (CHEBI:26657)
Manual Xref Database
C00046976 KNApSAcK
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Registry Number Type Source
262599-02-0 CAS Registry Number KNApSAcK
Last Modified
14 July 2016