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CHEBI:67752 - Trigoxyphin E

ChEBI IDCHEBI:67752
ChEBI NameTrigoxyphin E
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(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@]3([H])OC4(c5ccccc5)O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(OC(C)=O)C(=C)C
InChIInChI=1S/C42H48O14/c1-21(2)40(52-27(8)46)33-23(4)41-30-20-22(3)32(49-24(5)43)39(30,48)37(51-26(7)45)38(9,55-36(47)28-16-12-10-13-17-28)34(50-25(6)44)31(41)35(40)54-42(53-33,56-41)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
InChIKeyBTNJSRCXHFOKQC-JJOSKYTHSA-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)
Trigoxyphin E (CHEBI:67752) has role metabolite (CHEBI:25212)
Trigoxyphin E (CHEBI:67752) is a diterpenoid (CHEBI:23849)
Citations