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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:4-allyl-2-isopropoxyphenol
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Accession:CHEBI:59075 term browser browse the term
Definition:A phenylpropanoid that is an analogue of eugenol in which an isopropoxy group replaces the methoxy group.
Synonyms:exact_synonym: 2-[(propan-2-yl)oxy]-4-(prop-2-en-1-yl)phenol
 related_synonym: 2-(1-methylethoxy)-4-(2-propen-1-yl)-phenol;   2-isopropoxy-4-allylphenol;   4-allyl-2-isopropoxy-phenol;   Formula=C12H16O2;   InChI=1S/C12H16O2/c1-4-5-10-6-7-11(13)12(8-10)14-9(2)3/h4,6-9,13H,1,5H2,2-3H3;   InChIKey=ICVLUTHYXHYLPY-UHFFFAOYSA-N;   SMILES=CC(C)Oc1cc(CC=C)ccc1O
 xref: Beilstein:8832062;   PMID:9084914;   Reaxys:8832062


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  CHEBI ontology 19801
    role 19747
      biological role 19746
        aetiopathogenetic role 18879
          genotoxin 16979
            catechol 1357
              4-allyl-2-isopropoxyphenol 0
Path 2
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  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      carbon group element atom 19583
                        carbon atom 19572
                          organic molecular entity 19572
                            organic molecule 19494
                              organic cyclic compound 19264
                                organic aromatic compound 19082
                                  phenols 18146
                                    benzenediols 6026
                                      catechols 3160
                                        catechol 1357
                                          4-allyl-2-isopropoxyphenol 0
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