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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:purpurogallin
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Accession:CHEBI:8647 term browser browse the term
Definition:A cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6.
Synonyms:exact_synonym: 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one
 related_synonym: 2,3,4,6-tetrahydroxy-5H-benzocycloheptene-5-one;   2,3,4,6-tetrahydroxybenzocyclohepten-5-one;   Formula=C11H8O5;   InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14);   InChIKey=WDGFFVCWBZVLCE-UHFFFAOYSA-N;   SMILES=Oc1cc2cccc(O)c(=O)c2c(O)c1O;   purpurogalline
 xref: Beilstein:1978265;   CAS:569-77-7;   KEGG:C09964;   KNApSAcK:C00003013;   LINCS:LSM-37040
 xref_mesh: MESH:C026133
 xref: PMID:1799443;   PMID:18878807;   PMID:8326817;   PMID:9178568;   PMID:9568088;   Patent:US2770545



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purpurogallin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 multiple interactions EXP purpurogallin inhibits the reaction [CYP2E1 protein results in increased reduction of tirapazamine] CTD PMID:7710944 NCBI chr 1:195,840,330...195,850,728
Ensembl chr 1:195,840,058...195,864,023
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Term Annotations click to browse term
  CHEBI ontology 19740
    role 19713
      chemical role 19356
        antioxidant 15686
          purpurogallin 1
Path 2
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  CHEBI ontology 19740
    subatomic particle 19738
      composite particle 19738
        hadron 19738
          baryon 19738
            nucleon 19738
              atomic nucleus 19738
                atom 19738
                  main group element atom 19686
                    p-block element atom 19686
                      carbon group element atom 19631
                        carbon atom 19627
                          organic molecular entity 19627
                            organic molecule 19587
                              organic cyclic compound 19393
                                carbocyclic compound 18510
                                  carbopolycyclic compound 17153
                                    carbobicyclic compound 5870
                                      ortho-fused bicyclic hydrocarbon 2421
                                        benzocycloheptene 1
                                          5H-benzocycloheptene 1
                                            purpurogallin 1
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