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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:JBIR-91
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Accession:CHEBI:217769 term browser browse the term
Synonyms:exact_synonym: 9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-4a-[(2R,4R,5R,6R)-5-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8,12b-dihydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
 related_synonym: Formula=C39H51NO14;   InChI=1S/C39H51NO14/c1-16-11-27(43)39(49)31-22(35(47)30-21(36(31)48)8-7-20(34(30)46)26-13-24(41)32(44)17(2)50-26)9-10-38(39,15-16)54-29-12-23(40(5)6)37(19(4)52-29)53-28-14-25(42)33(45)18(3)51-28/h7-10,16-19,23-26,28-29,32-33,37,41-42,44-46,49H,11-15H2,1-6H3/t16?,17-,18-,19-,23-,24-,25-,26-,28-,29-,32-,33+,37+,38?,39?/m1/s1;   InChIKey=OQFYDADTTCKOPC-WEIQQEEISA-N;   SMILES=O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC4(C3(O)C(=O)CC(C)C4)O[C@H]5O[C@@H]([C@H](O[C@H]6O[C@@H]([C@H](O)[C@@H](C6)O)C)[C@@H](C5)N(C)C)C)[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O)C
 xref: Chemspider:78445638


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Term Annotations click to browse term
  CHEBI ontology 19844
    chemical entity 19842
      atom 19842
        nonmetal atom 19780
          oxygen atom 19491
            oxygen molecular entity 19523
              organooxygen compound 19167
                carbohydrates and carbohydrate derivatives 15289
                  carbohydrate derivative 14279
                    glycosyl compound 13050
                      glycoside 11831
                        JBIR-91 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbonyl compound 18890
                                    ketone 17180
                                      cyclic ketone 15698
                                        quinone 8647
                                          acenoquinone 7721
                                            anthraquinone 518
                                              JBIR-91 0
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