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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:eugenol sulfate
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Accession:CHEBI:133570 term browser browse the term
Definition:A phenylpropanoid that is eugenol in which the phenolic hydrogen has been replaced by a sulfo group.
Synonyms:exact_synonym: 2-methoxy-4-(prop-2-en-1-yl)phenyl hydrogen sulfate
 related_synonym: 4-allyl-2-methoxyphenyl hydrogen sulfate;   Formula=C10H12O5S;   InChI=1S/C10H12O5S/c1-3-4-8-5-6-9(10(7-8)14-2)15-16(11,12)13/h3,5-7H,1,4H2,2H3,(H,11,12,13);   InChIKey=XWAZTQUZONPJEW-UHFFFAOYSA-N;   SMILES=OS(OC=1C=CC(=CC1OC)CC=C)(=O)=O;   sulfuric acid mono-(4-allyl-2-methoxy-phenyl ester)
 xref: CAS:95480-60-7;   Reaxys:3329536
 cyclic_relationship: is_conjugate_acid_of CHEBI:133571


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Term Annotations click to browse term
  CHEBI ontology 24359
    role 24266
      biological role 24233
        aetiopathogenetic role 23022
          sensitiser 10283
            eugenol 1450
              eugenol sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24359
    subatomic particle 24315
      composite particle 24315
        hadron 24315
          baryon 24315
            nucleon 24315
              atomic nucleus 24315
                atom 24315
                  main group element atom 24160
                    p-block element atom 24160
                      carbon group element atom 23936
                        carbon atom 23892
                          organic molecular entity 23892
                            organic molecule 23769
                              organic cyclic compound 23036
                                carbocyclic compound 21564
                                  benzenoid aromatic compound 19124
                                    benzenes 18648
                                      methoxybenzenes 1983
                                        monomethoxybenzene 1890
                                          guaiacols 1511
                                            guaiacol 1461
                                              eugenol 1450
                                                eugenol sulfate 0
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