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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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Term Annotations click to browse term
  CHEBI ontology 19734
    role 19680
      biological role 19678
        aetiopathogenetic role 18782
          carcinogenic agent 17774
            benzo[a]pyrene 11809
              benzo[a]pyrene diol epoxide I 3265
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  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    main group molecular entity 19614
                      s-block molecular entity 19378
                        hydrogen molecular entity 19367
                          hydrides 18289
                            organic hydride 17567
                              organic fundamental parent 17567
                                hydrocarbon 16991
                                  cyclic hydrocarbon 15103
                                    arene 15090
                                      polycyclic arene 14521
                                        ortho- and peri-fused polycyclic arene 12618
                                          benzo[a]pyrene 11809
                                            benzo[a]pyrene diol epoxide I 3265
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.