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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-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
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Accession:CHEBI:129383 term browser browse the term
Definition:An aromatic ether that has formula C22H36N4O4.
Synonyms:related_synonym: Formula=C22H36N4O4;   InChI=1S/C22H36N4O4/c1-14(2)23-22(29)24-18-7-8-19-17(9-18)10-21(28)26(16(4)13-27)11-15(3)20(30-19)12-25(5)6/h7-9,14-16,20,27H,10-13H2,1-6H3,(H2,23,24,29)/t15-,16-,20+/m0/s1;   InChIKey=VNWGQZGENSFMNJ-TWOQFEAHSA-N;   SMILES=C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)C)[C@@H](C)CO
 xref: LINCS:LSM-40934


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Term Annotations click to browse term
  CHEBI ontology 19838
    chemical entity 19836
      group 19795
        polyatomic entity 19794
          molecule 19699
            organic molecule 19684
              organic cyclic compound 19496
                organic aromatic compound 19366
                  aromatic ether 16526
                    1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    main group molecular entity 19786
                      p-block molecular entity 19786
                        carbon group molecular entity 19734
                          organic molecular entity 19731
                            heteroorganic entity 19488
                              organochalcogen compound 19251
                                organooxygen compound 19168
                                  ether 17280
                                    aromatic ether 16526
                                      1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea 0
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