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CHEBI:67744 - Trigohownin C, (rel)-

ChEBI IDCHEBI:67744
ChEBI NameTrigohownin C, (rel)-
Stars
DefinitionA natural product found in Trigonostemon howii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC38H44O12
Net Charge0
Average Mass692.758
Monoisotopic Mass692.28328
SMILES[H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](O)[C@@]1([H])[C@@]3([H])OC4(c5ccccc5)O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(O)C(=C)C
InChIInChI=1S/C38H44O12/c1-19(2)35(43)30-21(4)37-26-18-20(3)29(45-22(5)39)36(26,44)33(46-23(6)40)34(7,49-32(42)24-14-10-8-11-15-24)28(41)27(37)31(35)48-38(47-30,50-37)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,41,43-44H,1,18H2,2-7H3/t20-,21+,26+,27-,28-,29-,30-,31+,33+,34+,35-,36+,37-,38?/m0/s1
InChIKeyDBZRNVHEUFWTLZ-SPQNPJFSSA-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 C, (rel)- (CHEBI:67744) has role metabolite (CHEBI:25212)
Trigohownin C, (rel)- (CHEBI:67744) is a diterpenoid (CHEBI:23849)
Citations