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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:2-[(2R,4aR,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
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Accession:CHEBI:100509 term browser browse the term
Definition:An urea that has formula C23H25N3O6.
Synonyms:related_synonym: Formula=C23H25N3O6;   InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18-,20+/m1/s1;   InChIKey=HJRBVKTVNLVVPO-POAQFYNOSA-N;   SMILES=CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O
 xref: LINCS:LSM-11883


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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        agrochemical 0
          fertilizer 0
            urea 0
              ureas 0
                2-[(2R,4aR,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid 0
Path 2
Term Annotations click to browse term
  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
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                urea 0
                                                  ureas 0
                                                    2-[(2R,4aR,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid 0
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