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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:dihydro-nogalonic acid methyl ester
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Accession:CHEBI:31486 term browser browse the term
Definition:A dihydroxyanthraquinone that is chrysazin which is substituted by a 3-hydroxybutanoyl group at position 2 and by a 2-methoxy-2-oxoethyl at position 3.
Synonyms:exact_synonym: methyl [4,5-dihydroxy-3-(3-hydroxybutanoyl)-9,10-dioxo-9,10-dihydroanthracen-2-yl]acetate
 related_synonym: 2-[4,5-dihydroxy-3-(3-hydroxybutanoyl)-9,10-diketo-2-anthryl]acetic acid methyl ester;   Formula=C21H18O8;   InChI=1S/C21H18O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,9,22-23,27H,6,8H2,1-2H3;   InChIKey=PUVXBJLNMVCYJW-UHFFFAOYSA-N;   SMILES=C1=CC(=C2C(=C1)C(C=3C(C2=O)=C(C(=C(C3)CC(OC)=O)C(CC(O)C)=O)O)=O)O;   methyl 2-[4,5-dihydroxy-3-(3-hydroxybutanoyl)-9,10-dioxo-2-anthryl]acetate
 xref: KEGG:C12418



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Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      application 19653
        fuel 11355
          methanol 3963
            methyl ester 3910
              dihydro-nogalonic acid methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic group 18947
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18879
                                    carbonyl compound 18879
                                      ketone 17180
                                        cyclic ketone 15696
                                          quinone 8648
                                            acenoquinone 7724
                                              anthraquinone 514
                                                hydroxyanthraquinones 502
                                                  dihydroxyanthraquinone 350
                                                    dihydro-nogalonic acid methyl ester 0
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