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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Definition:A phenylpropanoid that is eugenol in which the phenolic hydrogen has been replaced by a sulfo group.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 221
    role 221
      biological role 221
        aetiopathogenetic role 140
          sensitiser 4
            eugenol 0
              eugenol sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 221
    subatomic particle 221
      composite particle 221
        hadron 221
          baryon 221
            nucleon 221
              atomic nucleus 221
                atom 221
                  main group element atom 214
                    p-block element atom 214
                      carbon group element atom 203
                        carbon atom 202
                          organic molecular entity 202
                            organic molecule 197
                              organic cyclic compound 181
                                carbocyclic compound 88
                                  benzenoid aromatic compound 86
                                    benzenes 80
                                      methoxybenzenes 6
                                        monomethoxybenzene 5
                                          guaiacols 0
                                            guaiacol 0
                                              eugenol 0
                                                eugenol sulfate 0
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