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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 19915
    role 19885
      chemical role 19492
        antioxidant 16172
          purpurogallin 1
Path 2
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  CHEBI ontology 19915
    subatomic particle 19913
      composite particle 19895
        hadron 19895
          baryon 19913
            nucleon 19895
              atomic nucleus 19913
                atom 19895
                  main group element atom 19852
                    p-block element atom 19834
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            organic molecule 19722
                              organic cyclic compound 19529
                                carbocyclic compound 18607
                                  carbopolycyclic compound 17189
                                    carbobicyclic compound 5887
                                      ortho-fused bicyclic hydrocarbon 2437
                                        benzocycloheptene 1
                                          5H-benzocycloheptene 1
                                            purpurogallin 1
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