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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:chrysen-6-ol
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Accession:CHEBI:132407 term browser browse the term
Definition:A hydroxychrysene that is chrysene in which the hydrogen at position 6 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
Synonyms:related_synonym: 6-chrysenol;   6-hydroxychrysene;   Formula=C18H12O;   InChI=1S/C18H12O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H;   InChIKey=VXFDOYXVHRYCGS-UHFFFAOYSA-N;   SMILES=C=1C=CC=C2C3=CC=C4C=CC=CC4=C3C=C(C21)O
 xref: CAS:37515-51-8
 xref_mesh: MESH:C087203
 xref: Reaxys:1970026


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  CHEBI ontology 494
    role 501
      biological role 494
        biochemical role 454
          metabolite 445
            xenobiotic metabolite 75
              chrysen-6-ol 0
Path 2
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  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    main group molecular entity 487
                      s-block molecular entity 438
                        hydrogen molecular entity 437
                          hydrides 362
                            organic hydride 71
                              organic fundamental parent 71
                                hydrocarbon 49
                                  cyclic hydrocarbon 25
                                    arene 25
                                      polycyclic arene 8
                                        ortho-fused polycyclic arene 8
                                          chrysene 0
                                            hydroxychrysene 0
                                              chrysen-6-ol 0
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