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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
Term Annotations click to browse term
  CHEBI ontology 19792
    role 19738
      biological role 19737
        aetiopathogenetic role 18869
          carcinogenic agent 17936
            benzo[a]pyrene 12304
              benzo[a]pyrene diol epoxide I 3263
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    main group molecular entity 19675
                      s-block molecular entity 19420
                        hydrogen molecular entity 19411
                          hydrides 18460
                            organic hydride 17773
                              organic fundamental parent 17773
                                hydrocarbon 17294
                                  cyclic hydrocarbon 15325
                                    arene 15315
                                      polycyclic arene 14779
                                        ortho- and peri-fused polycyclic arene 13023
                                          benzo[a]pyrene 12304
                                            benzo[a]pyrene diol epoxide I 3263
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