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

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ChEBI Name 1-O-benzoyl-1-deacetylmekongensine
ChEBI ID CHEBI:69754
Definition A natural product found in Maytenus mekongensis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C50H53NO20
Net Charge 0
Average Mass 987.95050
Monoisotopic Mass 987.31609
InChI InChI=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
InChIKey UASPCJAJXBQHDM-RDZAULFISA-N
SMILES [H][C@]12OC(=O)[C@](C)(CCc3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(=O)c5ccccc5)[C@@]3([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@H]1OC(C)=O)[C@@]2(C)O)OC(C)=O
Metabolite of Species Details
Maytenus mekongensis (NCBI:txid123430) Found in root (BTO:0001188). Methylene dichloride fraction of extract of Dried roots See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 dibenzoate ChEBI
Citation Waiting for Citations Type Source
21634414 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:organooxygen compound(CHEBI:36963); HFP:hexacarboxylic acid(CHEBI:59359); ISA:sesquiterpenoid(CHEBI:26658); ISA:benzoate ester(CHEBI:36054); ISA:pyridines(CHEBI:26421); ISA:aromatic carboxylic acid(CHEBI:33859); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:oxacycle(CHEBI:38104); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698);