EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67782 - Trigonosin D

ChEBI IDCHEBI:67782
ChEBI NameTrigonosin D
Stars
DefinitionA natural product found in Trigonostemon thyrsoideum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC33H42O12
Net Charge0
Average Mass630.687
Monoisotopic Mass630.26763
SMILES[H][C@@]12[C@H](OC(C)=O)[C@]3(C)O[C@@]4([C@@H]3O)[C@@H](O)[C@@H](C)C[C@@]4([H])[C@@]1(O)[C@H](C)[C@H](OC(C)=O)[C@@](OC(=O)c1ccccc1)(C(=C)C)[C@@H]2OC(C)=O
InChIInChI=1S/C33H42O12/c1-15(2)32(44-28(38)21-12-10-9-11-13-21)25(41-18(5)34)17(4)31(40)22-14-16(3)24(37)33(22)29(39)30(8,45-33)26(42-19(6)35)23(31)27(32)43-20(7)36/h9-13,16-17,22-27,29,37,39-40H,1,14H2,2-8H3/t16-,17+,22-,23-,24-,25-,26-,27+,29+,30-,31-,32-,33+/m0/s1
InChIKeyLZUPONYGHMLQEQ-KPHPJPRYSA-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 D (CHEBI:67782) has role metabolite (CHEBI:25212)
Trigonosin D (CHEBI:67782) is a diterpenoid (CHEBI:23849)
Synonym  Source
(1R,2S,3S,5S,6R,7R,8S,9S,10R,11S,12S,13R,15R)-8,10,12-Triacetoxy-2,6,15-trihydroxy-9-isopropenyl-3,7,13-trimethyl-14-oxatetracyclo[11.1.1.0[1,5].0[6,11]]pentadec-9-yl benzoateChEBI
Citations