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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:ballotenic acid
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Accession:CHEBI:65462 term browser browse the term
Definition:A diterpenoid that is 3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid substituted by methyl groups at positions 5, 6 and 8a and a 2-(2-oxotetrahydrofuran-3-yl)ethyl group at position 5 (the 4aR,5S,6R,8aR stereoisomer). It is isolated from the whole plant of Ballota limbata (Syn.Otostegia limbata) and acts as a lipoxygenase inhibitor.
Synonyms:exact_synonym: (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(2-oxotetrahydrofuran-3-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
 related_synonym: Formula=C20H30O4;   InChI=1S/C20H30O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,13-14,16H,4,6-12H2,1-3H3,(H,21,22)/t13-,14?,16-,19+,20+/m1/s1;   InChIKey=KLTOIXCFCZRIFD-BBOKRCSFSA-N;   SMILES=[H]C1(CCOC1=O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(=CCC[C@]12[H])C(O)=O
 xref: PMID:15056960;   PMID:17661429;   Reaxys:9804328


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19765
    role 19738
      biological role 19736
        biochemical role 19452
          metabolite 19438
            ballotenic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19765
    subatomic particle 19763
      composite particle 19763
        hadron 19763
          baryon 19763
            nucleon 19763
              atomic nucleus 19763
                atom 19763
                  main group element atom 19712
                    p-block element atom 19712
                      carbon group element atom 19658
                        carbon atom 19654
                          organic molecular entity 19654
                            organic group 18856
                              organic divalent group 18842
                                organodiyl group 18842
                                  carbonyl group 18807
                                    carbonyl compound 18807
                                      carboxylic ester 15955
                                        lactone 11406
                                          gamma-lactone 6827
                                            ballotenic acid 0
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