CHEBI:69755 - 9'-Deacetoxymekongensine

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ChEBI Name 9'-Deacetoxymekongensine
ChEBI ID CHEBI:69755
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 C43H49NO18
Net Charge 0
Average Mass 867.84510
Monoisotopic Mass 867.29496
InChI InChI=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
InChIKey VRFBNEKYXLBEOW-SOSGQWQHSA-N
SMILES [H][C@]12OC(=O)[C@@H](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
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 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 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: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:dicarboxylic acid(CHEBI:35692); 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);