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CHEBI:67784 - Trigonosin F, (rel)-

ChEBI IDCHEBI:67784
ChEBI NameTrigonosin F, (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-SOJCREQSSA-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 F, (rel)- (CHEBI:67784) has role metabolite (CHEBI:25212)
Trigonosin F, (rel)- (CHEBI:67784) is a macrolide (CHEBI:25106)
Synonym  Source
rel-(1R,2S,3S,5R,6S,7S,8R,10S,11S,14Z,16E,18S,19S,22R,24R,25S,26R,30S,31R,33S)-6,7,24,25-Tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1[19,22].0[1,8].0[2,26].0[3,5].0[7,11].0[25,30]]tritriaconta-14,16-dien-18-yl benzoateChEBI
Manual XrefsDatabases
26344174ChemSpider
Citations