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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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  CHEBI ontology 26041
    chemical entity 26020
      atom 26016
        nonmetal atom 25505
          carbon atom 25399
            organic molecular entity 25399
              olefinic compound 18231
                isoelisabethatriene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    main group molecular entity 25841
                      p-block molecular entity 25836
                        carbon group molecular entity 25441
                          organic molecular entity 25399
                            organic molecule 25228
                              organic cyclic compound 24281
                                carbocyclic compound 22049
                                  carbopolycyclic compound 19852
                                    carbobicyclic compound 5980
                                      isoelisabethatriene 0
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