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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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Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      molecular entity 5051
        polyatomic entity 5032
          heteroatomic molecular entity 5001
            hydroxides 4835
              organic hydroxy compound 4767
                phenols 636
                  polyphenol 236
                    aklanonic acid 0
                      methyl aklanonate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbonyl compound 4643
                                    ketone 4347
                                      cyclic ketone 4333
                                        quinone 19
                                          acenoquinone 7
                                            anthraquinone 0
                                              hydroxyanthraquinones 0
                                                dihydroxyanthraquinone 0
                                                  aklanonic acid 0
                                                    methyl aklanonate 0
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