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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:simulanol
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Accession:CHEBI:86940 term browser browse the term
Definition:A guaiacyl lignin that is found in Arabidopsis thaliana.
Synonyms:exact_synonym: 4-{3-(hydroxymethyl)-5-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-dimethoxyphenol
 related_synonym: 5'-methoxydehydrodiconiferyl alcohol;   Formula=C21H24O7;   InChI=1S/C21H24O7/c1-25-16-9-13(10-17(26-2)19(16)24)20-15(11-23)14-7-12(5-4-6-22)8-18(27-3)21(14)28-20/h4-5,7-10,15,20,22-24H,6,11H2,1-3H3/b5-4+;   InChIKey=SGRRPSBKBJVKJE-SNAWJCMRSA-N;   S(8-5)G;   SMILES=C=12OC(C(C1C=C(C=C2OC)/C=C/CO)CO)C3=CC(=C(C(=C3)OC)O)OC
 alt_id: CHEBI:91186


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Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      biological role 19782
        biochemical role 19496
          volatile oil component 7613
            coniferol 7
              simulanol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            organic molecule 19655
                              organic cyclic compound 19468
                                carbocyclic compound 18559
                                  benzenoid aromatic compound 17968
                                    benzenes 17830
                                      methoxybenzenes 2049
                                        monomethoxybenzene 1852
                                          guaiacols 1387
                                            coniferol 7
                                              guaiacyl lignin 0
                                                simulanol 0
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