EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:35934 - evonine

ChEBI IDCHEBI:35934
ChEBI Nameevonine
Stars
Last Modified18 January 2013
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)[C@H](C)c5ncccc5C(=O)OC[C@]2(C)O[C@@]31[C@@]4(C)O
InChIInChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23-,26-,27+,28+,29-,30-,33-,34-,35+,36-/m0/s1
InChIKeyIMIAGCONYJPMDY-MCLCTUEFSA-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)
evonine (CHEBI:35934) is a pyridine alkaloid (CHEBI:26416)
evonine (CHEBI:35934) is a pyridine alkaloid fundamental parent (CHEBI:38528)
Incoming Relation(s)
emarginatine B (CHEBI:65839) has functional parent evonine (CHEBI:35934)
emarginatine F (CHEBI:65840) has functional parent evonine (CHEBI:35934)
IUPAC Name 
evonine
Registry NumbersSources
Beilstein:4946284Beilstein
CAS:33458-64-9ChemIDplus