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ONTOLOGY REPORT - ANNOTATIONS


Term:benzo[a]pyrene diol epoxide I
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Accession:CHEBI:30614 term browser browse the term
Definition:An epoxide that has formula C20H14O3.
Synonyms:exact_synonym: 7,8,8a,9a-tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol;   7,8,8a,9a-tetrahydrobenzo[10,11]chryseno[3,4-b]oxirene-7,8-diol
 related_synonym: 7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene 9,10-oxide;   BP 7,8-Diol-9,10-epoxide 2;   BPDE;   Benzo(a)pyrene diol epoxide;   Formula=C20H14O3;   InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H;   InChIKey=DQEPMTIXHXSFOR-UHFFFAOYSA-N;   SMILES=OC1C(O)c2cc3ccc4cccc5ccc(c2C2OC12)c3c45;   benzo(a)pyrene diolepoxide I;   benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide
 xref: Beilstein:1353131 "Beilstein";   CAS:55097-80-8 "KEGG COMPOUND";   CAS:58917-67-2 "ChemIDplus";   KEGG:C14853
 xref_mesh: MESH:D015123


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  CHEBI ontology 23673
    role 23561
      biological role 23522
        aetiopathogenetic role 22189
          carcinogenic agent 20238
            benzo[a]pyrene 12526
              benzo[a]pyrene diol epoxide I 3383
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  CHEBI ontology 23673
    subatomic particle 23620
      composite particle 23620
        hadron 23620
          baryon 23620
            nucleon 23620
              atomic nucleus 23620
                atom 23620
                  main group element atom 23437
                    main group molecular entity 23437
                      s-block molecular entity 22611
                        hydrogen molecular entity 22393
                          hydrides 20497
                            organic hydride 19502
                              organic fundamental parent 19502
                                hydrocarbon 18781
                                  cyclic hydrocarbon 16582
                                    arene 16570
                                      polycyclic arene 15803
                                        ortho- and peri-fused polycyclic arene 13557
                                          benzo[a]pyrene 12526
                                            benzo[a]pyrene diol epoxide I 3383
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.