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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:9'-Deacetoxymekongensine
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Accession:CHEBI:69755 term browser browse the term
Definition:A terpene lactone that has formula C43H49NO18.
Synonyms:related_synonym: (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;   Formula=C43H49NO18;   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
 xref: PMID:21634414

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            9'-Deacetoxymekongensine 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  ester 0
                                    carboxylic ester 0
                                      lactone 0
                                        terpene lactone 0
                                          9'-Deacetoxymekongensine 0
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