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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:(-)-duryne B
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Accession:CHEBI:67755 term browser browse the term
Definition:An enyne that is (4E,15Z,28E)-dotriaconta-4,15,28-triene-1,31-diyne substituted by hydroxy groups at positions 3 and 30 (the 3R,30R-stereoiosmer). It has been isolated from the marine sponge Petrosia.
Synonyms:exact_synonym: (3R,4E,15Z,28E,30R)-dotriaconta-4,15,28-triene-1,31-diyne-3,30-diol
 related_synonym: Formula=C32H52O2;   InChI=1S/C32H52O2/c1-3-31(33)29-27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30-32(34)4-2/h1-2,5,7,27-34H,6,8-26H2/b7-5-,29-27+,30-28+/t31-,32-/m0/s1;   InChIKey=ZEWIWYQCBPUQNR-JIHXWXSTSA-N;   SMILES=O[C@H](\\C=C\\CCCCCCCCCCC\\C=C/CCCCCCCCC\\C=C\\[C@@H](O)C#C)C#C
 xref: PMID:21534590;   Reaxys:21556540


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Path 1
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  CHEBI ontology 19786
    role 19732
      application 19423
        pharmaceutical 19321
          drug 19321
            antineoplastic agent 17310
              (-)-duryne B 0
Path 2
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  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      chalcogen 19413
                        oxygen atom 19378
                          oxygen molecular entity 19378
                            hydroxides 19103
                              organic hydroxy compound 18667
                                polyol 8069
                                  diol 3320
                                    (-)-duryne B 0
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