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CHEBI:67750 - Trigohownin I, (rel)-

ChEBI IDCHEBI:67750
ChEBI NameTrigohownin I, (rel)-
Stars
DefinitionA natural product found in Trigonostemon howii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H48O14
Net Charge0
Average Mass752.810
Monoisotopic Mass752.30441
SMILES[H][C@@]12[C@H](OC(C)=O)[C@@](C)(O)[C@@H](OC(=O)c3ccccc3)[C@]3(O)[C@@H](OC(C)=O)[C@@H](C)C[C@@]3([H])[C@@]1(O)[C@H](C)[C@H](O)[C@@](OC(=O)c1ccccc1)(C(=C)C)[C@@H]2OC(C)=O
InChIInChI=1S/C40H48O14/c1-20(2)40(54-35(46)27-17-13-10-14-18-27)30(44)22(4)38(48)28-19-21(3)31(50-23(5)41)39(28,49)36(53-34(45)26-15-11-9-12-16-26)37(8,47)32(51-24(6)42)29(38)33(40)52-25(7)43/h9-18,21-22,28-33,36,44,47-49H,1,19H2,2-8H3/t21-,22+,28-,29-,30-,31-,32-,33+,36+,37+,38-,39+,40-/m0/s1
InChIKeyVDMDRDCTAJFLHV-RYGFXTHDSA-N
Species of MetaboliteComponentSourceComments
Trigonostemon howii (IPNI:358018-1) twig (BTO:0001411) PubMed (21520897) 95% ethanolic extract of air-dried, powdered twigs
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)
Trigohownin I, (rel)- (CHEBI:67750) has role metabolite (CHEBI:25212)
Trigohownin I, (rel)- (CHEBI:67750) is a diterpenoid (CHEBI:23849)
Citations