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CHEBI:69754 - 1-O-benzoyl-1-deacetylmekongensine

ChEBI IDCHEBI:69754
ChEBI Name1-O-benzoyl-1-deacetylmekongensine
Stars
DefinitionA natural product found in Maytenus mekongensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC50H53NO20
Net Charge0
Average Mass987.961
Monoisotopic Mass987.31609
SMILES[H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1CC[C@](C)(OC(C)=O)C(=O)O[C@@]([H])([C@H](OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
InChIInChI=1S/C50H53NO20/c1-26(52)62-25-49-40(66-29(4)55)36(64-27(2)53)35-38(67-42(57)31-16-11-9-12-17-31)50(49)48(8,61)39(37(65-28(3)54)41(49)68-43(58)32-18-13-10-14-19-32)69-45(60)46(6,70-30(5)56)22-21-34-33(20-15-23-51-34)44(59)63-24-47(35,7)71-50/h9-20,23,35-41,61H,21-22,24-25H2,1-8H3/t35-,36-,37+,38-,39+,40-,41+,46+,47+,48+,49+,50+/m1/s1
InChIKeyUASPCJAJXBQHDM-RDZAULFISA-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)
1-O-benzoyl-1-deacetylmekongensine (CHEBI:69754) has role metabolite (CHEBI:25212)
1-O-benzoyl-1-deacetylmekongensine (CHEBI:69754) is a terpene lactone (CHEBI:37668)
Synonym  Source
(1S,3R,15S,18S,19R,20R,21S,22S,23R,24R,25R,26S)-15,19,22,23-Tetraacetoxy-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]]hexaco sa-7,9,11-triene-20,25-diyl dibenzoateChEBI
Citations