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CHEBI:67779 - Trigonosin A

ChEBI IDCHEBI:67779
ChEBI NameTrigonosin A
Stars
DefinitionA natural product found in Trigonostemon thyrsoideum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H38O9
Net Charge0
Average Mass590.669
Monoisotopic Mass590.25158
SMILES[H][C@@]12C[C@H](C)[C@H](O)[C@@]1(O)[C@H](O)[C@@]1(C)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/C34H38O9/c1-17(2)32-25(39-28(36)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,38)29(37)30(5)26(40-30)23(33)27(32)41-34(42-32,43-33)21-14-10-7-11-15-21/h6-15,18-19,22-27,29,35,37-38H,1,16H2,2-5H3/t18-,19+,22+,23-,24-,25-,26-,27+,29+,30-,31+,32-,33-,34?/m0/s1
InChIKeyVOVLVSQLMDTVFG-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 A (CHEBI:67779) has role metabolite (CHEBI:25212)
Trigonosin A (CHEBI:67779) is a diterpenoid (CHEBI:23849)
Synonym  Source
(1R,2R,4S,5S,6R,7S,8R,10S,11S,12R,16S,17S,18R)-5,6,7-Trihydroxy-16-isopropenyl-4,8,18-trimethyl-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