EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67781 - Trigonosin C

ChEBI IDCHEBI:67781
ChEBI NameTrigonosin C
Stars
DefinitionA natural product found in Trigonostemon thyrsoideum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H40O10
Net Charge0
Average Mass608.684
Monoisotopic Mass608.26215
SMILES[H][C@@]12C[C@H](C)[C@H](O)[C@@]1(O)[C@H](O)[C@](C)(O)[C@@H](O)[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/C34H40O10/c1-17(2)32-26(41-28(37)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,40)29(38)30(5,39)25(36)23(33)27(32)42-34(43-32,44-33)21-14-10-7-11-15-21/h6-15,18-19,22-27,29,35-36,38-40H,1,16H2,2-5H3/t18-,19+,22+,23-,24-,25-,26-,27+,29+,30+,31+,32-,33-,34?/m0/s1
InChIKeyQAXWNKPPCNIRQP-XAKMMCORSA-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 C (CHEBI:67781) has role metabolite (CHEBI:25212)
Trigonosin C (CHEBI:67781) is a diterpenoid (CHEBI:23849)
Citations