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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: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Definition:A phenylpropanoid that is isoeugenol in which the phenolic hydrogen has been replaced by a sulfo group.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 21538
    role 21517
      biological role 21516
        aetiopathogenetic role 20603
          sensitiser 10007
            isoeugenol 62
              isoeugenol sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21538
    subatomic particle 21525
      composite particle 21525
        hadron 21525
          baryon 21525
            nucleon 21525
              atomic nucleus 21525
                atom 21525
                  main group element atom 21426
                    p-block element atom 21426
                      carbon group element atom 21213
                        carbon atom 21111
                          organic molecular entity 21111
                            organic molecule 21002
                              organic cyclic compound 20555
                                carbocyclic compound 19172
                                  benzenoid aromatic compound 17855
                                    benzenes 17490
                                      methoxybenzenes 1851
                                        monomethoxybenzene 1753
                                          guaiacols 1373
                                            guaiacol 1324
                                              isoeugenol 62
                                                isoeugenol sulfate 0
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