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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:Bipolahydroquinone C
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Accession:CHEBI:224626 term browser browse the term
Synonyms:exact_synonym: (E,2S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-8,11,12-trihydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhex-4-en-3-one
 related_synonym: Formula=C28H40O7;   InChI=1S/C28H40O7/c1-8-14(2)21(30)15(3)16-13-17(29)20-23(32)25-27(6)11-9-18(26(4,5)33)34-19(27)10-12-28(25,7)35-24(20)22(16)31/h8,13,15,18-19,23,25,29,31-33H,9-12H2,1-7H3/b14-8+/t15-,18+,19+,23+,25+,27-,28+/m0/s1;   InChIKey=DKRLMXICUMBKMK-SXPMMVDJSA-N;   SMILES=O=C(/C(=C/C)/C)[C@H](C1=C(O)C=2O[C@]3([C@@H]([C@@]4([C@H](O[C@@H](C(O)(C)C)CC4)CC3)C)[C@@H](C2C(=C1)O)O)C)C


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26046
    chemical entity 26025
      atom 26021
        nonmetal atom 25509
          oxygen atom 24819
            oxygen molecular entity 24819
              organooxygen compound 24069
                oxacycle 20037
                  dibenzopyran 288
                    xanthenes 282
                      Bipolahydroquinone C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26046
    subatomic particle 26021
      composite particle 26021
        hadron 26021
          baryon 26021
            nucleon 26021
              atomic nucleus 26021
                atom 26021
                  main group element atom 25846
                    main group molecular entity 25846
                      p-block molecular entity 25841
                        carbon group molecular entity 25443
                          organic molecular entity 25401
                            organic molecule 25229
                              organic cyclic compound 24284
                                organic heterocyclic compound 22333
                                  organic heteropolycyclic compound 21332
                                    dibenzopyran 288
                                      xanthenes 282
                                        Bipolahydroquinone C 0
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