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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:3,7-dimethyl-3-octanol
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Accession:CHEBI:84242 term browser browse the term
Definition:A fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism.
Synonyms:exact_synonym: 3,7-dimethyloctan-3-ol;   tetrahydrolinalool
 related_synonym: Formula=C10H22O;   InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3;   InChIKey=DLHQZZUEERVIGQ-UHFFFAOYSA-N;   SMILES=CCC(C)(O)CCCC(C)C
 xref: CAS:78-69-3;   PMID:25518943;   Reaxys:1719622

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          heteroatomic molecular entity 0
            hydroxides 0
              organic hydroxy compound 0
                alcohol 0
                  tertiary alcohol 0
                    3,7-dimethyl-3-octanol 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          fatty acid derivative 0
                                            fatty alcohol 0
                                              medium-chain fatty alcohol 0
                                                3,7-dimethyl-3-octanol 0
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