Mol:FL1C99GS0001

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Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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   -0.6328   -0.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4752   -0.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4752    0.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788    0.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0289   -0.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5815   -0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328   -0.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2213   -0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7597   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2213    0.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829    0.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1865    0.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0289   -1.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8747    0.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3402    0.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1992    0.6086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6668    0.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7597    0.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4533   -0.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0339   -0.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0653    1.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2684    0.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  1 16  1  0  0  0  0
  7 17  2  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  1  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 16 21  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  29
M  SMT   1 ^CH2OH
M  SBV   1 29   -7.0908    4.1437
S  SKP  8
ID	FL1C99GS0001
KNApSAcK_ID	C00007181
NAME	4'-Hydroxychalcone 4'-glucoside
CAS_RN	82784-43-8
FORMULA	C21H22O7
EXACTMASS	386.136553058
AVERAGEMASS	386.39518
SMILES	C(Oc(c2)ccc(C(=O)C=Cc(c3)cccc3)c2)(O1)C(O)C(O)C(O)C1CO
M  END

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