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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Definition:A phenylpropanoid that is eugenol in which the phenolic hydrogen has been replaced by a sulfo group.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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  CHEBI ontology 0
    role 0
      biological role 0
        aetiopathogenetic role 0
          sensitiser 0
            eugenol 0
              eugenol sulfate 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                carbocyclic compound 0
                                  benzenoid aromatic compound 0
                                    benzenes 0
                                      methoxybenzenes 0
                                        monomethoxybenzene 0
                                          guaiacols 0
                                            guaiacol 0
                                              eugenol 0
                                                eugenol sulfate 0
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