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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Definition:A phenylpropanoid that is eugenol in which the phenolic hydrogen has been replaced by a sulfo group.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 860
    role 838
      biological role 838
        aetiopathogenetic role 446
          sensitiser 17
            eugenol 0
              eugenol sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 860
    subatomic particle 845
      composite particle 845
        hadron 845
          baryon 845
            nucleon 845
              atomic nucleus 845
                atom 845
                  main group element atom 834
                    p-block element atom 831
                      carbon group element atom 805
                        carbon atom 804
                          organic molecular entity 804
                            organic molecule 723
                              organic cyclic compound 636
                                carbocyclic compound 165
                                  benzenoid aromatic compound 154
                                    benzenes 148
                                      methoxybenzenes 1
                                        monomethoxybenzene 0
                                          guaiacols 0
                                            guaiacol 0
                                              eugenol 0
                                                eugenol sulfate 0
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