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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-17455
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Accession:CHEBI:106094 term browser browse the term
Definition:A benzoic acid that has formula C26H34N2O6S.
Synonyms:related_synonym: Formula=C26H34N2O6S;   InChI=1S/C26H34N2O6S/c1-5-6-20-9-12-25-23(13-20)34-24(18(2)14-28(19(3)17-29)35(25,32)33)16-27(4)15-21-7-10-22(11-8-21)26(30)31/h5-13,18-19,24,29H,14-17H2,1-4H3,(H,30,31)/t18-,19-,24-/m0/s1;   InChIKey=HCERARMSZYIAOP-JXQFQVJHSA-N;   SMILES=CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@@H](O2)CN(C)CC3=CC=C(C=C3)C(=O)O)C)[C@@H](C)CO
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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      chemical role 0
        donor 0
          Bronsted acid 0
            oxoacid 0
              carbon oxoacid 0
                carboxylic acid 0
                  aromatic carboxylic acid 0
                    benzoic acids 0
                      LSM-17455 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
                                      aromatic carboxylic acid 0
                                        benzoic acids 0
                                          LSM-17455 0
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