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CHEBI:67785 - trigoxyphin A

ChEBI IDCHEBI:67785
ChEBI Nametrigoxyphin A
Stars
DefinitionA natural product found in Trigonostemon thyrsoideum and Trigonostemon howii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H34O9
Net Charge0
Average Mass586.637
Monoisotopic Mass586.22028
SMILES[H][C@@]12C=C(C)C(=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/C34H34O9/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/h6-16,19,22-23,25-27,29,37-38H,1H2,2-5H3/t19-,22-,23+,25+,26+,27-,29-,30+,31-,32+,33+,34?/m1/s1
InChIKeyXVFFINDRMYVYJL-PULFBTHPSA-N
Species of MetaboliteComponentSourceComments
Trigonostemon howii (IPNI:358018-1) twig (BTO:0001411) PubMed (21520897) 95% ethanolic extract of air-dried, powdered twigs
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)
trigoxyphin A (CHEBI:67785) has role metabolite (CHEBI:25212)
trigoxyphin A (CHEBI:67785) is a diterpenoid (CHEBI:23849)
Manual XrefsDatabases
25048590ChemSpider
Citations