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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:Chrysoxanthone C
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Accession:CHEBI:214232 term browser browse the term
Synonyms:exact_synonym: methyl (3S,4R,4aR)-4,8,9-trihydroxy-7-[(2R)-5-hydroxy-2-methoxycarbonyl-2-[(2S,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-6-yl]-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
 related_synonym: Formula=C32H30O14;   InChI=1S/C32H30O14/c1-12-9-16(33)23-26(38)22-19(46-32(23,27(12)39)30(41)43-4)8-6-15(25(22)37)14-5-7-18-21(24(14)36)17(34)11-31(45-18,29(40)42-3)28-13(2)10-20(35)44-28/h5-8,12-13,27-28,36-39H,9-11H2,1-4H3/t12-,13-,27+,28-,31+,32+/m0/s1;   InChIKey=IRTSNPJRIJTNNN-AKBFVYQBSA-N;   SMILES=O=C1C2=C(O)C(C3=C(O)C=4C(O)=C5C(=O)C[C@H](C)[C@H]([C@]5(C(=O)OC)OC4C=C3)O)=CC=C2O[C@@](C1)(C(=O)OC)[C@H]6OC(=O)C[C@@H]6C
 xref: Chemspider:78439287


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5076
    chemical entity 5076
      atom 5067
        nonmetal atom 5030
          oxygen atom 4907
            oxygen molecular entity 4907
              organooxygen compound 4714
                oxacycle 4535
                  dibenzopyran 1
                    xanthenes 1
                      Chrysoxanthone C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5076
    subatomic particle 5067
      composite particle 5067
        hadron 5067
          baryon 5067
            nucleon 5067
              atomic nucleus 5067
                atom 5067
                  main group element atom 5037
                    main group molecular entity 5036
                      p-block molecular entity 5034
                        carbon group molecular entity 4951
                          organic molecular entity 4950
                            organic molecule 4898
                              organic cyclic compound 4837
                                organic heterocyclic compound 4617
                                  organic heteropolycyclic compound 4417
                                    dibenzopyran 1
                                      xanthenes 1
                                        Chrysoxanthone C 0
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