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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;   CAS:55097-80-8;   CAS:58917-67-2;   KEGG:C14853
 xref_mesh: MESH:D015123


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  CHEBI ontology 23949
    role 23837
      biological role 23800
        aetiopathogenetic role 22407
          carcinogenic agent 20317
            benzo[a]pyrene 12548
              benzo[a]pyrene diol epoxide I 3384
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  CHEBI ontology 23949
    subatomic particle 23900
      composite particle 23900
        hadron 23900
          baryon 23900
            nucleon 23900
              atomic nucleus 23900
                atom 23900
                  main group element atom 23720
                    main group molecular entity 23720
                      s-block molecular entity 22916
                        hydrogen molecular entity 22712
                          hydrides 20685
                            organic hydride 19777
                              organic fundamental parent 19777
                                hydrocarbon 19091
                                  cyclic hydrocarbon 16621
                                    arene 16608
                                      polycyclic arene 15823
                                        ortho- and peri-fused polycyclic arene 13579
                                          benzo[a]pyrene 12548
                                            benzo[a]pyrene diol epoxide I 3384
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.