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CHEBI:132395 - cangorinine E-1

ChEBI IDCHEBI:132395
ChEBI Namecangorinine E-1
Stars
DefinitionA sesquiterpene alkaloid that is isolated from Tripterygium wilfordii.
Last Modified12 July 2016
Submitterliuqingping
DownloadsMolfile
FormulaC43H49NO18
Net Charge0
Average Mass867.854
Monoisotopic Mass867.29496
SMILES[H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@@]34O[C@@]1(C)COC(=O)c1cnccc1C(C)C(C)C(=O)O[C@@]([H])([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
InChIInChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(57-24(5)47)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)30-33(60-38(51)27-13-11-10-12-14-27)43(42,41(34,9)53)62-40(30,8)18-55-39(52)29-17-44-16-15-28(20)29/h10-17,20-21,30-36,53H,18-19H2,1-9H3/t20?,21?,30-,31-,32+,33-,34+,35-,36+,40+,41+,42-,43+/m1/s1
InChIKeyOSRVDUIIEIKWRP-QIMXLZNVSA-N
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)
cangorinine E-1 (CHEBI:132395) has role plant metabolite (CHEBI:76924)
cangorinine E-1 (CHEBI:132395) is a acetate ester (CHEBI:47622)
cangorinine E-1 (CHEBI:132395) is a benzoate ester (CHEBI:36054)
cangorinine E-1 (CHEBI:132395) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
cangorinine E-1 (CHEBI:132395) is a macrolide (CHEBI:25106)
cangorinine E-1 (CHEBI:132395) is a pyridine alkaloid (CHEBI:26416)
cangorinine E-1 (CHEBI:132395) is a sesquiterpene alkaloid (CHEBI:26657)
Synonym  Source
cangorinine E-IChEBI
Registry NumbersSources
Reaxys:7740635Reaxys
Citations