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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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Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      biological role 19758
        aetiopathogenetic role 18951
          carcinogenic agent 18322
            aflatoxin B1 10846
              aflatoxin B1 endo-8,9-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic molecule 19514
                              organic cyclic compound 19311
                                organic heterocyclic compound 18425
                                  organic heteropolycyclic compound 17838
                                    organic heteropentacyclic compound 13227
                                      cyclopentafurofurochromene 11287
                                        aflatoxin 11287
                                          aflatoxin B1 10846
                                            aflatoxin B1 endo-8,9-oxide 0
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