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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:2-ethylhexan-1-ol
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Accession:CHEBI:16011 term browser browse the term
Definition:A primary alcohol that is hexan-1-ol substituted by an ethyl group at position 2.
Synonyms:related_synonym: 2-ethyl-1-hexanol;   Formula=C8H18O;   InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3;   InChIKey=YIWUKEYIRIRTPP-UHFFFAOYSA-N;   SMILES=CCCCC(CC)CO
 alt_id: CHEBI:1093;   CHEBI:11574;   CHEBI:19574
 xref: CAS:104-76-7;   HMDB:HMDB0031231;   KEGG:C02498
 xref_mesh: MESH:C034017
 xref: PMID:22520499;   PMID:24529788;   PMID:24716585;   Reaxys:1719280;   Wikipedia:2-Ethylhexanol


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    Path 1
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      CHEBI ontology 19911
        role 19854
          biological role 19852
            biochemical role 19582
              volatile oil component 7787
                2-ethylhexan-1-ol 2086
                  2-ethylhexyl sulfate 0
                  bis(2-ethylhexyl) adipate 3
                  isatinone B 0
                  mono(2-ethylhexyl) phthalate 2084
    Path 2
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      CHEBI ontology 19911
        subatomic particle 19909
          composite particle 19909
            hadron 19880
              baryon 19880
                nucleon 19909
                  atomic nucleus 19880
                    atom 19909
                      main group element atom 19849
                        p-block element atom 19849
                          chalcogen 19598
                            oxygen atom 19570
                              oxygen molecular entity 19570
                                hydroxides 19374
                                  organic hydroxy compound 18978
                                    alcohol 15737
                                      primary alcohol 14684
                                        2-ethylhexan-1-ol 2086
                                          2-ethylhexyl sulfate 0
                                          bis(2-ethylhexyl) adipate 3
                                          isatinone B 0
                                          mono(2-ethylhexyl) phthalate 2084
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