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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              organooxygen compound 0
                oxacycle 0
                  dibenzopyran 0
                    xanthenes 0
                      Chrysoxanthone C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      p-block molecular entity 0
                        carbon group molecular entity 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteropolycyclic compound 0
                                    dibenzopyran 0
                                      xanthenes 0
                                        Chrysoxanthone C 0
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