EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67783 - Trigonosin E, (rel)-

ChEBI IDCHEBI:67783
ChEBI NameTrigonosin E, (rel)-
Stars
DefinitionA natural product found in Trigonostemon thyrsoideum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC46H54O13
Net Charge0
Average Mass814.925
Monoisotopic Mass814.35644
SMILES[H][C@@]12CC[C@]([H])([C@@H](OC(=O)c3ccccc3)/C=C/C=C/C(=O)O[C@@]3([H])[C@@H](C)C[C@]4([H])[C@]3(O)[C@H](O)[C@@]3(CO)O[C@@]3([H])[C@@]3([H])[C@@]5([H])O[C@@]6(c7ccccc7)O[C@@]43[C@@H](C)[C@]([H])(O6)[C@@]5(O)[C@](C)(O)C1)[C@H]2C
InChIInChI=1S/C46H54O13/c1-24-21-32-43(52)35(24)55-33(48)18-12-11-17-31(54-39(49)27-13-7-5-8-14-27)30-20-19-28(25(30)2)22-41(4,51)45(53)36-26(3)44(32)34(37-42(23-47,56-37)40(43)50)38(45)58-46(57-36,59-44)29-15-9-6-10-16-29/h5-18,24-26,28,30-32,34-38,40,47,50-53H,19-23H2,1-4H3/b17-11+,18-12+/t24-,25-,26-,28+,30-,31-,32+,34-,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46-/m0/s1
InChIKeyZDIWBBJUVBDSOV-GMSDQLQFSA-N
Species of MetaboliteComponentSourceComments
Trigonostemon thyrsoideum (ncbitaxon:289660) root (BTO:0001188) PubMed (21192108) Methanolic extract of air-dried and powdered roots
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)
Trigonosin E, (rel)- (CHEBI:67783) has role metabolite (CHEBI:25212)
Trigonosin E, (rel)- (CHEBI:67783) is a macrolide (CHEBI:25106)
Manual XrefsDatabases
24712748ChemSpider
Citations