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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:isoeugenol sulfate
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Accession:CHEBI:133594 term browser browse the term
Definition:A phenylpropanoid that is isoeugenol in which the phenolic hydrogen has been replaced by a sulfo group.
Synonyms:exact_synonym: 2-methoxy-4-(prop-1-en-1-yl)phenyl hydrogen sulfate
 related_synonym: Formula=C10H12O5S;   InChI=1S/C10H12O5S/c1-3-4-8-5-6-9(10(7-8)14-2)15-16(11,12)13/h3-7H,1-2H3,(H,11,12,13);   InChIKey=HRHBRUPGUDLQIF-UHFFFAOYSA-N;   SMILES=OS(OC=1C=CC(=CC1OC)C=CC)(=O)=O;   sulfuric acid mono-2-methoxy-4-propenylphenyl ester
 xref: Reaxys:3342108
 cyclic_relationship: is_conjugate_acid_of CHEBI:133595

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Term Annotations click to browse term
  CHEBI ontology 880
    role 860
      biological role 860
        aetiopathogenetic role 457
          sensitiser 17
            isoeugenol 0
              isoeugenol sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 880
    subatomic particle 865
      composite particle 865
        hadron 865
          baryon 865
            nucleon 865
              atomic nucleus 865
                atom 865
                  main group element atom 855
                    p-block element atom 852
                      carbon group element atom 827
                        carbon atom 826
                          organic molecular entity 826
                            organic molecule 738
                              organic cyclic compound 647
                                carbocyclic compound 169
                                  benzenoid aromatic compound 158
                                    benzenes 151
                                      methoxybenzenes 1
                                        monomethoxybenzene 0
                                          guaiacols 0
                                            guaiacol 0
                                              isoeugenol 0
                                                isoeugenol sulfate 0
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