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CHEBI:35947 - evonimine

ChEBI IDCHEBI:35947
ChEBI Nameevonimine
Stars
Last Modified15 June 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC36H43NO17
Net Charge0
Average Mass761.730
Monoisotopic Mass761.25310
SMILES[H][C@@]1(OC(C)=O)[C@]2([H])C(=O)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]4([H])OC(=O)[C@@H](C)CCc5ncccc5C(=O)OC[C@]2(C)O[C@@]31[C@@]4(C)O
InChIInChI=1S/C36H43NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(43)28(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(49-18(3)39)29(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24,26-30,46H,11-12,14-15H2,1-8H3/t16-,24-,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1
InChIKeyQFMYKKJPSVFBKJ-BGOPWFHYSA-N
Roles Classification
Biological Role:
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)
evonimine (CHEBI:35947) is a pyridine alkaloid (CHEBI:26416)
evonimine (CHEBI:35947) is a pyridine alkaloid fundamental parent (CHEBI:38528)
IUPAC Name 
evonimine
Registry NumbersSources
Beilstein:5419708Beilstein