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  "description" : [ "An S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of butyric acid." ],
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  "annotation" : {
    "charge" : [ "0" ],
    "formula" : [ "C15H29N2O8PS" ],
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    "inchi" : [ "InChI=1S/C15H29N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/t13-/m0/s1" ],
    "inchikey" : [ "PZIQDUSGQUZEBS-ZDUSSCGKSA-N" ],
    "mass" : [ "428.440" ],
    "monoisotopicmass" : [ "428.13822" ],
    "smiles" : [ "C(NC(CCNC(=O)[C@@H](C(COP(O)(=O)O)(C)C)O)=O)CSC(=O)CCC" ]
  },
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