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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:LSM-5011
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Accession:CHEBI:94352 term browser browse the term
Definition:A dihydropyridine that has formula C21H26N2O7.
Synonyms:related_synonym: Formula=C21H26N2O7;   InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,17,19H,9-10H2,1-5H3;   InChIKey=BAARDDGSQHXDDB-UHFFFAOYSA-N;   SMILES=CC1=NC(=C(C(C1C(=O)OCCOC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C
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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      application 19650
        solvent 17024
          2-methoxyethanol 350
            2-methoxyethyl ester 56
              LSM-5011 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      chalcogen 19534
                        oxygen atom 19509
                          oxygen molecular entity 19509
                            hydroxides 19320
                              organic hydroxy compound 18948
                                polyol 11706
                                  diol 3926
                                    glycol 3695
                                      glycol ether 915
                                        2-methoxyethanol 350
                                          2-methoxyethyl ester 56
                                            LSM-5011 0
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