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CHEBI:67743 - Trigohownin B, (rel)-

ChEBI IDCHEBI:67743
ChEBI NameTrigohownin B, (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(OC(=O)c1ccccc1)[C@H](OC(C)=O)[C@](C)(O)[C@@H](OC(C)=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/C40H46O13/c1-20(2)37(46)31-22(4)38-28-19-21(3)30(47-23(5)41)39(28,52-34(44)26-15-11-9-12-16-26)35(49-25(7)43)36(8,45)32(48-24(6)42)29(38)33(37)51-40(50-31,53-38)27-17-13-10-14-18-27/h9-18,21-22,28-33,35,45-46H,1,19H2,2-8H3/t21-,22+,28-,29-,30-,31-,32-,33+,35+,36+,37-,38-,39+,40?/m0/s1
InChIKeyBLUSOKYDJJUZIT-BJKYFUTKSA-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 B, (rel)- (CHEBI:67743) has role metabolite (CHEBI:25212)
Trigohownin B, (rel)- (CHEBI:67743) is a diterpenoid (CHEBI:23849)
Citations