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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:beta-gurjunene
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Accession:CHEBI:80940 term browser browse the term
Definition:A carbotricyclic compound and sesquiterpene that is decahydro-1H-cyclopropa[e]azulene which is substituted by methyl groups at positions 1, 1, and 4, and by a methylidene group at position 7 (the (1aR,4R,4aR,7aR,7bR)- stereoisomer). It has been isolated from several plant species such as Acorus calamus and Pinus peuce.
Synonyms:exact_synonym: (1aR,4R,4aR,7aR,7bR)-1,1,4-trimethyl-7-methylidenedecahydro-1H-cyclopropa[e]azulene
 related_synonym: Formula=C15H24;   InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-14H,2,5-8H2,1,3-4H3/t9-,11-,12-,13-,14-/m1/s1;   InChIKey=IRCZVRWQUNZGSH-DKTYCGPESA-N;   SMILES=[C@]12([C@@]([C@@H](CC[C@@]3([C@]1(C3(C)C)[H])[H])C)(CCC2=C)[H])[H]
 xref: AGR:IND21993689;   AGR:IND23308255;   AGR:IND43689111;   AGR:IND43697387;   AGR:IND43732322;   CAS:73464-47-8;   FooDB:FDB001866;   KEGG:C17120;   KNApSAcK:C00034456;   MetaCyc:CPD-8753;   PMID:12381151;   PMID:17510986;   PMID:18649304;   PMID:20614830;   PMID:22428264;   PMID:22799099;   PMID:23413580;   PMID:32233445


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  CHEBI ontology 19808
    role 19784
      biological role 19782
        biochemical role 19496
          volatile oil component 7613
            beta-gurjunene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    main group molecular entity 19756
                      s-block molecular entity 19595
                        hydrogen molecular entity 19582
                          hydrides 19095
                            organic hydride 18669
                              organic fundamental parent 18669
                                hydrocarbon 18415
                                  terpene 14057
                                    sesquiterpene 3270
                                      beta-gurjunene 0
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