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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:isoelisabethatriene
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Accession:CHEBI:142543 term browser browse the term
Definition:A carbobicylic compound that is 1,2,3,4,5,6-hexahydronaphthalene which is carrying a (6S)-2-methylhept-2-en-6-yl group at position 1 and methyl groups at positions 4R and 7.
Synonyms:exact_synonym: (1S,4R)-4,7-dimethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6-hexahydronaphthalene
 related_synonym: Formula=C20H32;   InChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,16-17,19H,6,8-12H2,1-5H3/t16-,17-,19+/m1/s1;   InChIKey=UICVRWIQUTTXLD-LMMKCTJWSA-N;   SMILES=C12=C(CCC(=C1)C)[C@@H](CC[C@]2([C@@H](CCC=C(C)C)C)[H])C
 xref: MetaCyc:CPD-21660;   PMID:28696553


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Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      atom 5043
        nonmetal atom 5006
          carbon atom 4954
            organic molecular entity 4926
              olefinic compound 4452
                isoelisabethatriene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    main group molecular entity 5012
                      p-block molecular entity 5010
                        carbon group molecular entity 4927
                          organic molecular entity 4926
                            organic molecule 4874
                              organic cyclic compound 4812
                                carbocyclic compound 245
                                  carbopolycyclic compound 50
                                    carbobicyclic compound 17
                                      isoelisabethatriene 0
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