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CHEBI:69759 - 7-epi-5-O-benzoyl-5-deacetylperitassine A

ChEBI IDCHEBI:69759
ChEBI Name7-epi-5-O-benzoyl-5-deacetylperitassine A
Stars
DefinitionA natural product found in Maytenus mekongensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC43H49NO18
Net Charge0
Average Mass867.854
Monoisotopic Mass867.29496
SMILES[H][C@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]4([H])OC(=O)[C@@H](C)[C@H](C)c5ncccc5C(=O)OC[C@]1(C)O[C@@]3([C@@H]2OC(=O)c1ccccc1)[C@@]4(C)O
InChIInChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(57-24(5)47)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)29-33(60-38(51)27-14-11-10-12-15-27)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20-,21-,29+,31-,32-,33+,34-,35+,36-,40-,41-,42-,43-/m0/s1
InChIKeyDPTIBNOQWFLHCG-MTYDRNGTSA-N
Species of MetaboliteComponentSourceComments
Maytenus mekongensis (ncbitaxon:123430) root (BTO:0001188) PubMed (21634414) Methylene dichloride fraction of extract of Dried roots
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)
7-epi-5-O-benzoyl-5-deacetylperitassine A (CHEBI:69759) has role metabolite (CHEBI:25212)
7-epi-5-O-benzoyl-5-deacetylperitassine A (CHEBI:69759) is a terpene lactone (CHEBI:37668)
Citations