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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 880
    role 860
      biological role 860
        biochemical role 729
          metabolite 717
            eukaryotic metabolite 691
              plant metabolite 402
                ajugaciliatin J 0
Path 2
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  CHEBI ontology 880
    subatomic particle 865
      composite particle 865
        hadron 865
          baryon 865
            nucleon 865
              atomic nucleus 865
                atom 865
                  main group element atom 855
                    p-block element atom 852
                      carbon group element atom 828
                        carbon atom 827
                          organic molecular entity 827
                            organic group 392
                              organic divalent group 390
                                organodiyl group 390
                                  carbonyl group 389
                                    carbonyl compound 389
                                      carboxylic acid 267
                                        monocarboxylic acid 134
                                          fatty acid 77
                                            unsaturated fatty acid 9
                                              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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