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xenovulene A - Ontology Report - Rat Genome Database

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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:xenovulene A
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Accession:CHEBI:66336 term browser browse the term
Definition:A sesquiterpenoid based on a humulene skeleton. It is isolated from Sarocladium strictum and has been shown to exhibit inhibitory activity against GABA receptor.
Synonyms:exact_synonym: (2aR,5aR,11E,14aS,14bS,14cS)-4-hydroxy-5a,9,9,12-tetramethyl-2a,5a,6,9,10,13,14,14a,14b,14c-decahydro-1,5-dioxacyclopenta[cd]cycloundeca[f]inden-3(2)-one
 related_synonym: Formula=C22H30O4;   InChI=1S/C22H30O4/c1-13-6-7-15-19-16-14(12-25-19)17(23)18(24)20(16)26-22(15,4)10-5-9-21(2,3)11-8-13/h5,8-9,14-16,19,24H,6-7,10-12H2,1-4H3/b9-5+,13-8+/t14-,15-,16-,19-,22+/m0/s1;   InChIKey=WDFUVZRTUNQXHC-KVPIFFDFSA-N;   SMILES=[H][C@@]12CO[C@@]3([H])[C@]4([H])CC\\C(C)=C\\CC(C)(C)\\C=C\\C[C@@]4(C)OC(=C(O)C1=O)[C@@]23[H]
 xref: PMID:7649852;   PMID:9262310;   Reaxys:7310576

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Path 1
Term Annotations click to browse term
  CHEBI ontology 20845
    role 20805
      biological role 20803
        biochemical role 20250
          metabolite 20231
            xenovulene A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    p-block element atom 20766
                      carbon group element atom 20699
                        carbon atom 20693
                          organic molecular entity 20693
                            heteroorganic entity 20202
                              organochalcogen compound 19890
                                organooxygen compound 19792
                                  carbonyl compound 19423
                                    ketone 17441
                                      alpha,beta-unsaturated ketone 10053
                                        enone 10053
                                          xenovulene A 0
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