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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:seco-plakortolide P
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Accession:CHEBI:68419 term browser browse the term
Definition:A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 4, a 2-hydroxy-2-methyl-14-phenyltetradeca-11,13-dien-1-yl group at position 5 and a methyl group at position 5 (the 4S,5S stereoisomer). It is isolated from the Australian marine sponge Plakinastrella clathrata.
Synonyms:exact_synonym: (4S,5S)-4-hydroxy-5-[(2S,11E,13E)-2-hydroxy-2-methyl-14-phenyltetradeca-11,13-dien-1-yl]-5-methyldihydrofuran-2(3H)-one
 related_synonym: Formula=C26H38O4;   InChI=1S/C26H38O4/c1-25(29,21-26(2)23(27)20-24(28)30-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h7,9,11-14,16-18,23,27,29H,3-6,8,10,15,19-21H2,1-2H3/b9-7+,16-12+/t23-,25-,26-/m0/s1;   InChIKey=BBUUFCRHKRIKHW-NZGJWSFPSA-N;   SMILES=C[C@](O)(CCCCCCCC\\C=C\\C=C\\c1ccccc1)C[C@]1(C)OC(=O)C[C@@H]1O
 xref: PMID:21261297;   Reaxys:21309204


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  CHEBI ontology 19904
    role 19875
      biological role 19873
        biochemical role 19583
          metabolite 19570
            seco-plakortolide P 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19904
    subatomic particle 19902
      composite particle 19902
        hadron 19902
          baryon 19902
            nucleon 19902
              atomic nucleus 19902
                atom 19902
                  main group element atom 19841
                    p-block element atom 19841
                      carbon group element atom 19779
                        carbon atom 19776
                          organic molecular entity 19776
                            heteroorganic entity 19540
                              organochalcogen compound 19301
                                organooxygen compound 19219
                                  ester 17560
                                    carboxylic ester 16930
                                      lactone 13312
                                        gamma-lactone 6865
                                          butan-4-olide 309
                                            seco-plakortolide P 0
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