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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:monacolin L
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Accession:CHEBI:50130 term browser browse the term
Definition:A polyketide that is 1-ethyl-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalene in which one of the methyl hydrogens from the ethyl group is replaced by a 4-hydroxy-6-ketopyran-2-yl group.
Synonyms:exact_synonym: (4R,6R)-6-{2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-4-hydroxyoxan-2-one
 related_synonym: (4R,6R)-6-{2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-4-hydroxytetrahydro-2H-pyran-2-one;   Formula=C19H28O3;   InChI=1S/C19H28O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,9,12-13,15-18,20H,3,6-8,10-11H2,1-2H3/t12-,13+,15-,16-,17+,18+/m1/s1;   InChIKey=BKZPCUPKVCPRQW-MHMDBQTNSA-N;   SMILES=C[C@@H]1CC[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1;   monacolin L lactone
 alt_id: CHEBI:79043
 xref: CAS:79394-47-1;   KNApSAcK:C00018633;   PMID:21495633;   PMID:22995742;   PMID:24534845;   PMID:2708134;   PMID:2921224;   Patent:KR20040016648;   Reaxys:8791298


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19870
      application 19713
        pharmaceutical 19549
          drug 19549
            antilipemic drug 9328
              anticholesteremic drug 3947
                monacolin L 0
                  dihydromonacolin L + 0
                  monacolin J + 0
                  monacolin L acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19537
                              organochalcogen compound 19297
                                organooxygen compound 19215
                                  ester 17565
                                    carboxylic ester 16938
                                      lactone 13317
                                        delta-lactone 4215
                                          2-pyranones 772
                                            monacolin L 0
                                              dihydromonacolin L + 0
                                              monacolin J + 0
                                              monacolin L acid 0
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