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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:aflatoxin B1 endo-8,9-oxide
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Accession:CHEBI:78586 term browser browse the term
Definition:A member of the class of aflatoxins that is obtained by the formal epoxidation across the 8,9-double bond of aflatoxin B1.
Synonyms:exact_synonym: (6aS,7aR,8aS,8bR)-4-methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromene-1,10-dione
 related_synonym: AFNBO;   Formula=C17H12O7;   InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14+,16+,17-/m1/s1;   InChIKey=KHBXRZGALJGBPA-NQZOLGFYSA-N;   SMILES=COc1cc2O[C@H]3O[C@H]4O[C@H]4[C@H]3c2c2oc(=O)c3C(=O)CCc3c12;   aflatoxin B1 endo-8,9-epoxide
 xref: CAS:141899-13-0;   KEGG:C19595;   PMID:7766804;   Reaxys:6852034


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        aetiopathogenetic role 19163
          carcinogenic agent 18507
            aflatoxin B1 11150
              aflatoxin B1 endo-8,9-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic heterocyclic compound 18862
                                  organic heteropolycyclic compound 18301
                                    organic heteropentacyclic compound 13498
                                      cyclopentafurofurochromene 11145
                                        aflatoxin 11150
                                          aflatoxin B1 11150
                                            aflatoxin B1 endo-8,9-oxide 0
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