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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:3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
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Accession:CHEBI:94461 term browser browse the term
Definition:An aromatic ketone that has formula C20H33N3O4.
Synonyms:related_synonym: DL-Celiprolol;   Formula=C20H33N3O4;   InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);   InChIKey=JOATXPAWOHTVSZ-UHFFFAOYSA-N;   SMILES=CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C;   celiprolol HCl;   celiprolol hydrochloride;   celiprolol monohydrochloride;   selectol
 xref: CAS:56980-93-9;   Drug_Central:569;   LINCS:LSM-5187
 xref_mesh: MESH:D017272

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  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          oxo group 0
            organic oxo compound 0
              carbonyl compound 0
                ketone 0
                  aromatic ketone 0
                    3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea 0
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  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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      aromatic ketone 0
                                        3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea 0
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