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CHEBI:69755 - 9'-Deacetoxymekongensine

ChEBI IDCHEBI:69755
ChEBI Name9'-Deacetoxymekongensine
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(=O)c3ccccc3)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@]([H])([C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
InChIInChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(57-24(4)47)34(61-37(21)50)41(8,53)43(42,62-40)33(30)60-38(51)27-13-10-9-11-14-27/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42-,43-/m0/s1
InChIKeyVRFBNEKYXLBEOW-SOSGQWQHSA-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)
9'-Deacetoxymekongensine (CHEBI:69755) has role metabolite (CHEBI:25212)
9'-Deacetoxymekongensine (CHEBI:69755) is a terpene lactone (CHEBI:37668)
Synonym  Source
(1S,3R,15S,18S,19R,20R,21S,22S,23R,24R,25R,26S)-19,20,22,23-Tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexaco sa-7,9,11-trien-25-yl benzoateChEBI
Citations