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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-4-ol
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Accession:CHEBI:132406 term browser browse the term
Definition:A hydroxychrysene that is chrysene in which the hydrogen at position 4 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
Synonyms:related_synonym: 4-chrysenol;   4-hydroxychrysene;   Formula=C18H12O;   InChI=1S/C18H12O/c19-17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17/h1-11,19H;   InChIKey=CZCGRCFUEPALNV-UHFFFAOYSA-N;   SMILES=C=1C=CC=C2C3=CC=C4C=CC=C(C4=C3C=CC21)O
 xref: CAS:63019-40-9;   PMID:3690507;   Reaxys:3294466


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19883
    role 19833
      biological role 19833
        biochemical role 19370
          metabolite 19350
            xenobiotic metabolite 14261
              chrysen-4-ol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    main group molecular entity 19771
                      s-block molecular entity 19520
                        hydrogen molecular entity 19512
                          hydrides 18784
                            organic hydride 18338
                              organic fundamental parent 18338
                                hydrocarbon 18064
                                  cyclic hydrocarbon 17117
                                    arene 17113
                                      polycyclic arene 16933
                                        ortho-fused polycyclic arene 9671
                                          chrysene 868
                                            hydroxychrysene 3
                                              chrysen-4-ol 0
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