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CHEBI:67746 - Trigohownin E, (rel)-

ChEBI IDCHEBI:67746
ChEBI NameTrigohownin E, (rel)-
Stars
DefinitionA natural product found in Trigonostemon howii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H46O13
Net Charge0
Average Mass734.795
Monoisotopic Mass734.29384
SMILES[H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@@H](OC(C)=O)[C@@]1([H])[C@@]3([H])OC4(C)O[C@@]21[C@H](C)[C@H](OC(=O)c1ccccc1)[C@]3(C(=C)C)O4
InChIInChI=1S/C40H46O13/c1-20(2)39-30(49-33(43)25-15-11-9-12-16-25)22(4)40-27-19-21(3)29(47-23(5)41)38(27,46)35(50-34(44)26-17-13-10-14-18-26)36(7,45)31(48-24(6)42)28(40)32(39)51-37(8,52-39)53-40/h9-18,21-22,27-32,35,45-46H,1,19H2,2-8H3/t21-,22+,27+,28-,29-,30-,31-,32+,35+,36+,37?,38+,39-,40-/m0/s1
InChIKeyYRHRFRAGMYDVMA-MQTLPGEGSA-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 E, (rel)- (CHEBI:67746) has role metabolite (CHEBI:25212)
Trigohownin E, (rel)- (CHEBI:67746) is a diterpenoid (CHEBI:23849)
Citations