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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:Plicatilisin C
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Accession:CHEBI:207188 term browser browse the term
Synonyms:exact_synonym: (1R,2R,3R,3aR,5aS)-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-1,2,3,4,5,6,7,8-octahydrobenzo[g]azulene-1,2-diol
 related_synonym: Formula=C20H32O3;   InChI=1S/C20H32O3/c1-12(2)16-18(23)17(22)15-10-14-13(11-21)6-5-7-19(14,3)8-9-20(15,16)4/h10,12,16-18,21-23H,5-9,11H2,1-4H3/t16-,17+,18+,19-,20-/m0/s1;   InChIKey=MINQDQAGQOTQDE-MDMHHNQBSA-N;   SMILES=O[C@@H]1C2=CC3=C(CCC[C@@]3(C)CC[C@]2(C)[C@H]([C@H]1O)C(C)C)CO
 xref: Chemspider:28516054


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26050
    chemical entity 26029
      molecular entity 26007
        polyatomic entity 25892
          heteroatomic molecular entity 25544
            hydroxides 24065
              organic hydroxy compound 22075
                Plicatilisin C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    p-block element atom 25850
                      p-block molecular entity 25845
                        chalcogen molecular entity 24932
                          oxygen molecular entity 24821
                            hydroxides 24065
                              organic hydroxy compound 22075
                                Plicatilisin C 0
paths to the root