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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:aklanonic acid
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Accession:CHEBI:31178 term browser browse the term
Definition:An anthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 4 and 5, a carboxymethyl group at position 2 and a 3-oxopentanoyl group at position 3.
Synonyms:exact_synonym: [4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetic acid
 related_synonym: 9,10-dioxo-9,10-dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-2-anthraceneacetic acid;   Formula=C21H16O8;   InChI=1S/C21H16O8/c1-2-10(22)8-14(24)16-9(7-15(25)26)6-12-18(20(16)28)21(29)17-11(19(12)27)4-3-5-13(17)23/h3-6,23,28H,2,7-8H2,1H3,(H,25,26);   InChIKey=OSKHFTHBEFJNCM-UHFFFAOYSA-N;   SMILES=CCC(=O)CC(=O)c1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1CC(O)=O
 xref: CAS:91432-47-2;   KEGG:C12421;   KNApSAcK:C00017707;   PMID:3464736;   PMID:3862658;   PMID:9098068;   Reaxys:8520433
 cyclic_relationship: is_conjugate_acid_of CHEBI:75309


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      molecular entity 19809
        polyatomic entity 19767
          heteroatomic molecular entity 19723
            hydroxides 19300
              organic hydroxy compound 18928
                phenols 18609
                  polyphenol 9418
                    aklanonic acid 0
                      methyl aklanonate 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
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbonyl compound 18858
                                    ketone 17163
                                      cyclic ketone 15681
                                        quinone 8644
                                          acenoquinone 7719
                                            anthraquinone 514
                                              hydroxyanthraquinones 502
                                                dihydroxyanthraquinone 350
                                                  aklanonic acid 0
                                                    methyl aklanonate 0
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