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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:Homovanillic acid sulfate
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Accession:CHEBI:88405 term browser browse the term
Definition:An alcohol that has formula C9H10O7S.
Synonyms:related_synonym: 2-[3-methoxy-4-(sulfooxy)phenyl]acetic acid;   4-Sulfooxy-3-methoxy-benzeneacetic acid;   4-Sulfooxy-3-methoxyphenylacetic acid;   Formula=C9H10O7S;   InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14);   InChIKey=IACOAKYXFIWAQN-UHFFFAOYSA-N;   SMILES=S(=O)(=O)(OC=1C(=CC(=CC1)CC(O)=O)OC)O
 xref: CAS:38339-06-9;   HMDB:HMDB0011719;   PMID:22827565


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19840
    chemical entity 19840
      molecular entity 19838
        polyatomic entity 19754
          heteroatomic molecular entity 19681
            hydroxides 19111
              organic hydroxy compound 18671
                alcohol 15020
                  Homovanillic acid sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19730
                    p-block element atom 19730
                      carbon group element atom 19635
                        carbon atom 19624
                          organic molecular entity 19624
                            organic molecule 19555
                              organic cyclic compound 19364
                                organic aromatic compound 19191
                                  phenols 18154
                                    Homovanillic acid sulfate 0
paths to the root