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CHEBI:67745 - Trigohownin D

ChEBI IDCHEBI:67745
ChEBI NameTrigohownin D
Stars
DefinitionA natural product found in Trigonostemon howii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC42H48O14
Net Charge0
Average Mass776.832
Monoisotopic Mass776.30441
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@@]21[C@H](C)[C@H](OC(C)=O)[C@]3(C(=C)C)O4
InChIInChI=1S/C42H48O14/c1-21(2)39-33(50-25(6)44)23(4)40-30-20-22(3)32(49-24(5)43)41(30,54-36(47)28-16-12-10-13-17-28)37(52-27(8)46)38(9,48)34(51-26(7)45)31(40)35(39)53-42(55-39,56-40)29-18-14-11-15-19-29/h10-19,22-23,30-35,37,48H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,37+,38+,39-,40-,41+,42?/m0/s1
InChIKeySXKWHGICTJDZFH-ZZWHEEIISA-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 D (CHEBI:67745) has role metabolite (CHEBI:25212)
Trigohownin D (CHEBI:67745) is a diterpenoid (CHEBI:23849)
Citations