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CHEBI:69756 - 1-O-benzoyl-1-deacetyl-9'-deacetoxymekongensine

ChEBI IDCHEBI:69756
ChEBI Name1-O-benzoyl-1-deacetyl-9'-deacetoxymekongensine
Stars
DefinitionA natural product found in Maytenus mekongensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC48H51NO18
Net Charge0
Average Mass929.925
Monoisotopic Mass929.31061
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(=O)c1ccccc1)[C@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
InChIInChI=1S/C48H51NO18/c1-25-20-21-33-32(19-14-22-49-33)44(57)60-23-45(6)34-35(61-27(3)51)39(63-29(5)53)47(24-59-26(2)50)40(66-43(56)31-17-12-9-13-18-31)36(62-28(4)52)38(65-41(25)54)46(7,58)48(47,67-45)37(34)64-42(55)30-15-10-8-11-16-30/h8-19,22,25,34-40,58H,20-21,23-24H2,1-7H3/t25-,34+,35+,36-,37+,38-,39+,40-,45-,46-,47-,48-/m0/s1
InChIKeyCAEARXJBKWWZOC-VWBQBHFSSA-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-deacetyl-9'-deacetoxymekongensine (CHEBI:69756) has role metabolite (CHEBI:25212)
1-O-benzoyl-1-deacetyl-9'-deacetoxymekongensine (CHEBI:69756) is a terpene lactone (CHEBI:37668)
Synonym  Source
(1S,3R,15S,18S,19R,20R,21S,22S,23R,24R,25R,26S)-19,22,23-Triacetoxy-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]]hexacosa-7, 9,11-triene-20,25-diyl dibenzoateChEBI
Citations