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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:pyrocatechol sulfate
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Accession:CHEBI:68505 term browser browse the term
Definition:An aryl sulfate that is catechol with one of the two hydroxy groups substituted by a sulfo group.
Synonyms:exact_synonym: 2-hydroxyphenyl hydrogen sulfate
 related_synonym: (2-hydroxyphenyl)oxidanesulfonic acid;   1,2-Benzenediol mono(hydrogen sulfate);   1,2-Benzenediol mono(hydrogen sulphate);   Formula=C6H6O5S;   InChI=1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10);   InChIKey=MZPWKJZDOCIALD-UHFFFAOYSA-N;   SMILES=C=1C=CC=C(C1OS(O)(=O)=O)O;   catechol monosulfate;   catechol sulfate;   pyrocatechol hydrogen sulfate;   pyrocatechol monosulfate
 xref: CAS:4918-96-1;   HMDB:HMDB0059724;   PMID:22770225;   Reaxys:1960529
 cyclic_relationship: is_conjugate_acid_of CHEBI:133072


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Term Annotations click to browse term
  CHEBI ontology 19838
    role 19814
      biological role 19812
        xenobiotic 18738
          pyrocatechol sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      chalcogen 19543
                        oxygen atom 19518
                          oxygen molecular entity 19518
                            hydroxides 19330
                              oxoacid 18765
                                chalcogen oxoacid 13771
                                  sulfur oxoacid 13559
                                    sulfuric acid 8242
                                      sulfuric acid derivative 8242
                                        sulfates 8237
                                          organic sulfate 2274
                                            aryl sulfate 57
                                              pyrocatechol sulfate 0
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