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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 1:213,511,892...213,522,195
Ensembl chr 1:213,511,874...213,535,542
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Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      chemical role 19250
        antioxidant 14211
          purpurogallin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic molecule 19488
                              organic cyclic compound 19285
                                carbocyclic compound 18183
                                  carbopolycyclic compound 16963
                                    carbobicyclic compound 4551
                                      ortho-fused bicyclic hydrocarbon 2399
                                        benzocycloheptene 1
                                          5H-benzocycloheptene 1
                                            purpurogallin 1
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