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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:(-)-citrinin
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Accession:CHEBI:48707 term browser browse the term
Definition:A citrinin that has formula C13H14O5.
Synonyms:exact_synonym: (3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
 related_synonym: (3R,4S)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid;   (3R-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid;   Formula=C13H14O5;   InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1;   InChIKey=CQIUKKVOEOPUDV-IYSWYEEDSA-N;   SMILES=C[C@H]1OC=C2C(O)=C(C(O)=O)C(=O)C(C)=C2[C@@H]1C
 xref: Beilstein:5282243;   Beilstein:88597;   CAS:518-75-2;   KEGG:C16765;   KNApSAcK:C00029979
 xref_mesh: MESH:D002953
 cyclic_relationship: is_enantiomer_of CHEBI:48712


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            eukaryotic metabolite 0
              fungal metabolite 0
                Penicillium metabolite 0
                  (-)-citrinin 0
Path 2
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
                    main group molecular entity 0
                      p-block molecular entity 0
                        carbon group molecular entity 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteropolycyclic compound 0
                                    benzopyran 0
                                      2-benzopyran 0
                                        isochromenes 0
                                          8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid 0
                                            citrinin 0
                                              (-)-citrinin 0
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