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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: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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    Path 1
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      CHEBI ontology 19800
        role 19751
          biological role 19751
            aetiopathogenetic role 19027
              carcinogenic agent 18362
                benzo[a]pyrene 15965
                  benzo[a]pyrene diol epoxide I 3269
    Path 2
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      CHEBI ontology 19800
        subatomic particle 19799
          composite particle 19799
            hadron 19799
              baryon 19799
                nucleon 19799
                  atomic nucleus 19799
                    atom 19799
                      main group element atom 19698
                        main group molecular entity 19698
                          s-block molecular entity 19479
                            hydrogen molecular entity 19471
                              hydrides 18834
                                organic hydride 18348
                                  organic fundamental parent 18348
                                    hydrocarbon 18059
                                      cyclic hydrocarbon 17069
                                        arene 17065
                                          polycyclic arene 16885
                                            ortho- and peri-fused polycyclic arene 16177
                                              benzo[a]pyrene 15965
                                                benzo[a]pyrene diol epoxide I 3269
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