EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67780 - Trigonosin B

ChEBI IDCHEBI:67780
ChEBI NameTrigonosin B
Stars
DefinitionA natural product found in Trigonostemon thyrsoideum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H38O10
Net Charge0
Average Mass606.668
Monoisotopic Mass606.24650
SMILES[H][C@@]12C[C@H](C)[C@H](O)[C@@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@@]1([H])[C@@]3([H])OC4(c5ccccc5)O[C@@]21[C@H](C)[C@H](OC(=O)c1ccccc1)[C@]3(C(=C)C)O4
InChIInChI=1S/C34H38O10/c1-17(2)32-25(40-28(37)20-11-7-5-8-12-20)19(4)33-22-15-18(3)24(36)31(22,39)29(38)30(16-35)26(41-30)23(33)27(32)42-34(43-32,44-33)21-13-9-6-10-14-21/h5-14,18-19,22-27,29,35-36,38-39H,1,15-16H2,2-4H3/t18-,19+,22+,23-,24-,25-,26-,27+,29+,30-,31+,32-,33-,34?/m0/s1
InChIKeyZNOMLFYNXQOJQV-IHORLDMESA-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 B (CHEBI:67780) has role metabolite (CHEBI:25212)
Trigonosin B (CHEBI:67780) is a diterpenoid (CHEBI:23849)
Synonym  Source
(1R,2R,4S,5S,6R,7S,8R,10S,11S,12R,16S,17S,18R)-5,6,7-Trihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.0[1,11].0[2,6].0[8,10].0[12,16]]nonadec-17- yl benzoateChEBI
Citations