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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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  CHEBI ontology 19808
    role 19757
      chemical role 19332
        antioxidant 14440
          purpurogallin 1
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  CHEBI ontology 19808
    subatomic particle 19807
      composite particle 19807
        hadron 19807
          baryon 19807
            nucleon 19807
              atomic nucleus 19807
                atom 19807
                  main group element atom 19704
                    p-block element atom 19704
                      carbon group element atom 19626
                        carbon atom 19616
                          organic molecular entity 19616
                            organic molecule 19556
                              organic cyclic compound 19347
                                carbocyclic compound 18306
                                  carbopolycyclic compound 17033
                                    carbobicyclic compound 5821
                                      ortho-fused bicyclic hydrocarbon 2419
                                        benzocycloheptene 1
                                          5H-benzocycloheptene 1
                                            purpurogallin 1
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