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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:6-sinapoylglucoraphenin
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Accession:CHEBI:136943 term browser browse the term
Definition:A glucosinolic acid that is glucoraphenin in which the hydroxy hydrogen at position 6 on the glucose fragment has been replaced by a sinapoyl group.
Synonyms:exact_synonym: 6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-1-S-[(1Z)-5-(methanesulfinyl)-N-sulfopent-4-enimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 6-(transsinapoyl)glucoraphenin;   Formula=C23H31NO13S3;   InChI=1S/C23H31NO13S3/c1-34-14-10-13(11-15(35-2)19(14)26)7-8-18(25)36-12-16-20(27)21(28)22(29)23(37-16)38-17(24-40(31,32)33)6-4-5-9-39(3)30/h5,7-11,16,20-23,26-29H,4,6,12H2,1-3H3,(H,31,32,33)/b8-7+,9-5?,24-17-/t16-,20-,21+,22-,23+,39?/m1/s1;   InChIKey=ZNEJWXHAVJTYSO-RUSIJVCESA-N;   SMILES=[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)COC(\\C=C\\C2=CC(=C(C(=C2)OC)O)OC)=O)S/C(=N\\S(O)(=O)=O)/CCC=CS(=O)C
 xref: CAS:76653-80-0;   Chemspider:35014565;   HMDB:HMDB0038405


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Term Annotations click to browse term
  CHEBI ontology 26041
    role 25957
      application 25179
        MALDI matrix material 1027
          trans-sinapic acid 0
            6-sinapoylglucoraphenin 0
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Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            heteroorganic entity 24773
                              organochalcogen compound 24384
                                organooxygen compound 24061
                                  carbohydrates and carbohydrate derivatives 16791
                                    carbohydrate 16791
                                      monosaccharide 4980
                                        aldose 3333
                                          aldohexose 2958
                                            glucose 2912
                                              D-glucose 2910
                                                D-glucopyranose 1857
                                                  beta-D-glucose 1710
                                                    1-thio-beta-D-glucopyranose 15
                                                      beta-D-thioglucoside 15
                                                        desulfoglucosinolic acid 15
                                                          glucosinolic acid 15
                                                            alkenylglucosinolic acid 5
                                                              gluconapin 0
                                                                glucoraphenin 0
                                                                  6-sinapoylglucoraphenin 0
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