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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:trans-cis-nepetalactone
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Accession:CHEBI:7519 term browser browse the term
Definition:A cyclopentapyran that is (4aS,7aS)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by an oxo group and at positions 4 and 7 by methyl groups, respectively (the 4aS,7S,7aS-diastereomer). An iridoid monoterpenoid isolated from several Nepeta plant species. It exhibits potent repellant activity against house dust mites and mosquitoes.
Synonyms:exact_synonym: (4aS,7S,7aS)-4,7-dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one
 related_synonym: (4aS,7S,7aS)-nepetalactone;   (4aalpha,7alpha,7abeta)-5,6,7,7a-tetrahydro-4,7-dimethylcyclopenta[c]pyran-1(4aH)-one;   4aalpha,7alpha,7abeta-nepetalactone;   E,Z-nepetalactone;   Formula=C10H14O2;   InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9-/m0/s1;   InChIKey=ZDKZHVNKFOXMND-ZQARSLAVSA-N;   SMILES=[C@]12([C@]([C@H](CC1)C)(C(OC=C2C)=O)[H])[H];   epinepetalactone;   isonepetalactone;   nepetalactone trans-cis-form
 xref: AGR:IND605642279;   AGR:IND606363852;   CAS:17257-15-7;   KEGG:C09792;   KNApSAcK:C00003092;   LIPID_MAPS_instance:LMPR0102070014;   PMID:15586679;   PMID:15974613;   PMID:19469289;   PMID:21056438;   PMID:22382713;   PMID:24449446;   PMID:28701463;   PMID:29091815



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  CHEBI ontology 19860
    role 19832
      biological role 19830
        antimicrobial agent 18222
          antibacterial agent 16361
            trans-cis-nepetalactone 0
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  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    main group molecular entity 19804
                      s-block molecular entity 19637
                        hydrogen molecular entity 19618
                          hydrides 19124
                            organic hydride 18697
                              organic fundamental parent 18697
                                hydrocarbon 18440
                                  terpene 14073
                                    monoterpene 3822
                                      monoterpenoid 2030
                                        iridoid monoterpenoid 127
                                          trans-cis-nepetalactone 0
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