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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:1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
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Accession:CHEBI:126523 term browser browse the term
Definition:A (trifluoromethyl)benzene that has formula C33H37F3N4O6.
Synonyms:related_synonym: Formula=C33H37F3N4O6;   InChI=1S/C33H37F3N4O6/c1-20-15-40(21(2)18-41)31(42)13-23-12-25(37-32(43)38-26-9-11-28-29(14-26)45-19-44-28)8-10-27(23)46-30(20)17-39(3)16-22-4-6-24(7-5-22)33(34,35)36/h4-12,14,20-21,30,41H,13,15-19H2,1-3H3,(H2,37,38,43)/t20-,21+,30+/m1/s1;   InChIKey=UEDLRIRBQUSIHX-QPPRZBLKSA-N;   SMILES=C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@H]1CN(C)CC5=CC=C(C=C5)C(F)(F)F)[C@@H](C)CO
 xref: LINCS:LSM-38087


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      application 19630
        refrigerant 18220
          tetrafluoromethane 6751
            trifluoromethyl group 6758
              (trifluoromethyl)benzenes 6751
                1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            organic hydride 18656
                              organic fundamental parent 18656
                                hydrocarbon 18396
                                  halohydrocarbon 15471
                                    haloalkane 12273
                                      fluoroalkane 8084
                                        fluoromethanes 6751
                                          tetrafluoromethane 6751
                                            trifluoromethyl group 6758
                                              (trifluoromethyl)benzenes 6751
                                                1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea 0
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