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CHEBI:69753 - 7-epimekongensine, (rel)-

ChEBI IDCHEBI:69753
ChEBI Name7-epimekongensine, (rel)-
Stars
DefinitionA natural product found in Maytenus mekongensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC45H51NO20
Net Charge0
Average Mass925.890
Monoisotopic Mass925.30044
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@@](C)(OC(C)=O)CCc5ncccc5C(=O)OC[C@]1(C)O[C@@]3([C@@H]2OC(=O)c1ccccc1)[C@@]4(C)O
InChIInChI=1S/C45H51NO20/c1-22(47)57-21-44-36(61-25(4)50)32(59-23(2)48)31-34(63-38(53)28-14-11-10-12-15-28)45(44)43(9,56)35(33(60-24(3)49)37(44)62-26(5)51)64-40(55)41(7,65-27(6)52)18-17-30-29(16-13-19-46-30)39(54)58-20-42(31,8)66-45/h10-16,19,31-37,56H,17-18,20-21H2,1-9H3/t31-,32+,33+,34-,35+,36-,37+,41+,42+,43+,44+,45+/m1/s1
InChIKeyZOOHSIOMIRBBDY-YYEQAJDZSA-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-epimekongensine, (rel)- (CHEBI:69753) has role metabolite (CHEBI:25212)
7-epimekongensine, (rel)- (CHEBI:69753) is a terpene lactone (CHEBI:37668)
Synonym  Source
rel-(1S,3R,15S,18S,19R,20R,21S,22S,23S,24R,25R,26S)-15,19,20,22,23-Pentaacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0[1,21].0[3,24].0[7,12]]hex acosa-7,9,11-trien-25-yl benzoateChEBI
Citations