Mol:FL4DAGGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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   -0.1163   -1.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4045   -0.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1163    0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.9254   -1.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4463   -0.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4463   -0.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9254    0.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9254   -1.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0260    0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5547   -0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0835    0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0835    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5547    1.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0260    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5547    1.6644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6122   -0.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5918    0.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3887    0.4794    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 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  6  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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  6 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
 15 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 18  1  0  0  0  0 
  2 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
 14 32  1  0  0  0  0 
 26 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1 ^CH2OH 
M  SBV   1 36   -6.7312    3.8412 
S  SKP  8 
ID	FL4DAGGS0002 
KNApSAcK_ID	C00008723 
NAME	Ampelopsin 7-glucoside 
CAS_RN	87314-54-3 
FORMULA	C21H22O13 
EXACTMASS	482.10604078999995 
AVERAGEMASS	482.39158 
SMILES	C(O1)(Oc(c4)cc(c3c4O)OC(C(C(=O)3)O)c(c2)cc(O)c(O)c(O)2)C(O)C(O)C(O)C1CO 
M  END