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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:monastrol
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Accession:CHEBI:75382 term browser browse the term
Definition:A racemate comprising equimolar amounts of R- and S-monastrol.
Synonyms:exact_synonym: rac-ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
 related_synonym: Formula=C14H16N2O3S;   InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20);   InChIKey=LOBCDGHHHHGHFA-UHFFFAOYSA-N;   SMILES=CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1
 xref: LINCS:LSM-1809;   PMID:20519355;   PMID:23292345;   PMID:23727895;   PMID:25300040;   PMID:26035434;   PMID:27592117;   PMID:28314282;   PMID:28612296;   PMID:28683403;   PMID:30015883;   PMID:30108989;   PMID:30151081;   Patent:CN101781259;   Reaxys:8495831;   Wikipedia:Monastrol



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20039
    chemical entity 20038
      chemical substance 13270
        mixture 12465
          racemate 10545
            monastrol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20039
    subatomic particle 20037
      composite particle 20037
        hadron 20037
          baryon 20037
            nucleon 20037
              atomic nucleus 20037
                atom 20037
                  main group element atom 19938
                    p-block element atom 19938
                      carbon group element atom 19861
                        carbon atom 19852
                          organic molecular entity 19852
                            organic group 18932
                              organic divalent group 18916
                                organodiyl group 18916
                                  carbonyl group 18865
                                    carbonyl compound 18865
                                      carboxylic ester 15945
                                        alpha,beta-unsaturated carboxylic ester 1878
                                          enoate ester 1878
                                            ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 0
                                              (R)-monastrol 0
                                                monastrol 0
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