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  "description" : [ "A sterol 3-beta-D-glucoside resulting from the formal condensation of the hydroxy group of campesterol with beta-D-glucopyranose. Found in cloves, common wheat, and peaches." ],
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  "annotation" : {
    "charge" : [ "0" ],
    "formula" : [ "C34H58O6" ],
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    "id" : [ "CHEBI:145072" ],
    "inchi" : [ "InChI=1S/C34H58O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h9,19-21,23-32,35-38H,7-8,10-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-/m1/s1" ],
    "inchikey" : [ "FWNZEKQVBDXWKA-NYENXMMQSA-N" ],
    "mass" : [ "562.832" ],
    "monoisotopicmass" : [ "562.42334" ],
    "smiles" : [ "[C@@]12([C@@]([C@@]3(C(C[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)CC3)=CC1)C)(CC[C@@]5(C)[C@@]2([H])CC[C@@]5([C@@H](CC[C@H](C(C)C)C)C)[H])[H])[H]" ]
  },
  "label" : "campesterol 3-beta-D-glucoside",
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