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CHEBI:67749 - Trigohownin H, (rel)-

ChEBI IDCHEBI:67749
ChEBI NameTrigohownin H, (rel)-
Stars
DefinitionA natural product found in Trigonostemon howii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC42H50O15
Net Charge0
Average Mass794.847
Monoisotopic Mass794.31497
SMILES[H][C@@]12[C@H](OC(C)=O)[C@@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[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(C)=O)(C(=C)C)[C@@H]2OC(=O)c1ccccc1
InChIInChI=1S/C42H50O15/c1-21(2)42(56-27(8)46)32(47)23(4)40(50)30-20-22(3)33(52-24(5)43)41(30,51)38(54-26(7)45)39(9,57-37(49)29-18-14-11-15-19-29)34(53-25(6)44)31(40)35(42)55-36(48)28-16-12-10-13-17-28/h10-19,22-23,30-35,38,47,50-51H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41+,42-/m0/s1
InChIKeyMCELGDBIZYAJFT-GUDQYKIVSA-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 H, (rel)- (CHEBI:67749) has role metabolite (CHEBI:25212)
Trigohownin H, (rel)- (CHEBI:67749) is a diterpenoid (CHEBI:23849)
Citations