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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:ajugaciliatin J
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Accession:CHEBI:69871 term browser browse the term
Definition:A diterpene lactone isolated from the whole plant Ajuga ciliata.
Synonyms:exact_synonym: {(1R,4aR,5S,6R,8S,8aR)-1,8-dihydroxy-8a-(hydroxymethyl)-5,6-dimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]decahydronaphthalen-1-yl}methyl (2E)-2-methylbut-2-enoate
 related_synonym: 4alpha,6alpha,19-trihydroxy-18-tigloyloxyneo-clerod-13-en-15,16-olide;   Formula=C25H38O7;   InChI=1S/C25H38O7/c1-5-16(2)22(29)32-15-24(30)9-6-7-19-23(4,10-8-18-12-21(28)31-13-18)17(3)11-20(27)25(19,24)14-26/h5,12,17,19-20,26-27,30H,6-11,13-15H2,1-4H3/b16-5+/t17-,19-,20+,23+,24+,25+/m1/s1;   InChIKey=MKJOVGRMTQOYAQ-DONKYKGPSA-N;   SMILES=C\\C=C(/C)C(=O)OC[C@@]1(O)CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12CO
 xref: PMID:21682262;   Reaxys:21728539

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  CHEBI ontology 228
    role 228
      biological role 228
        biochemical role 189
          metabolite 182
            eukaryotic metabolite 160
              plant metabolite 72
                ajugaciliatin J 0
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  CHEBI ontology 228
    subatomic particle 228
      composite particle 228
        hadron 228
          baryon 228
            nucleon 228
              atomic nucleus 228
                atom 228
                  main group element atom 221
                    p-block element atom 221
                      carbon group element atom 209
                        carbon atom 208
                          organic molecular entity 208
                            organic group 155
                              organic divalent group 154
                                organodiyl group 154
                                  carbonyl group 154
                                    carbonyl compound 154
                                      carboxylic acid 115
                                        monocarboxylic acid 89
                                          fatty acid 58
                                            unsaturated fatty acid 4
                                              monounsaturated fatty acid 0
                                                butenoic acid 0
                                                  2-butenoic acid 0
                                                    2-methylbut-2-enoic acid 0
                                                      tiglic acid 0
                                                        ajugaciliatin J 0
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