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

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ChEBI Name 7-epimekongensine, (rel)-
ChEBI ID CHEBI:69753
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 C45H51NO20
Net Charge 0
Average Mass 925.88110
Monoisotopic Mass 925.30044
InChI InChI=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
InChIKey ZOOHSIOMIRBBDY-YYEQAJDZSA-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(C)=O)[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 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 benzoate 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:sesquiterpenoid(CHEBI:26658); ISA:organooxygen compound(CHEBI:36963); HFP:tetracarboxylic acid(CHEBI:35742); 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);