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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:(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one
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Accession:CHEBI:65537 term browser browse the term
Definition:An isochromane that is 3,4-dihydroisocoumarin with a butyl substituent at position 7, hydroxy substituents at positions 6 and 8 and a 3E-pent-3-en-1-yl group at position 3. It is isolated from an endophytic fungus, Geotrichum.
Synonyms:exact_synonym: (3R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydro-1H-isochromen-1-one
 related_synonym: 7-butyl-6,8-dihydroxy-3(R)-pent-11-enylisochroman-1-one;   Formula=C18H24O4;   InChI=1S/C18H24O4/c1-3-5-7-8-13-10-12-11-15(19)14(9-6-4-2)17(20)16(12)18(21)22-13/h3,5,11,13,19-20H,4,6-10H2,1-2H3/b5-3+/t13-/m1/s1;   InChIKey=RNIKQZXKWIZFHL-MASHWEEQSA-N;   SMILES=CCCCc1c(O)cc2C[C@@H](CC\\C=C\\C)OC(=O)c2c1O
 xref: PMID:12762815;   Reaxys:9582012

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            (R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one 0
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Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      2-benzopyran 0
                                        isochromenes 0
                                          isochromene 0
                                            1H-isochromene 0
                                              isocoumarin 0
                                                3,4-dihydroisocoumarin 0
                                                  (R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one 0
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