Mol:FL1BUNNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.0333    0.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525    1.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717    0.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525   -0.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4631   -0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1107    0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4631    0.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3470   -0.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5173    1.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1815   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7657   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579    0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7657    0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1815    0.9140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579   -0.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6421   -0.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6421    0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0622   -0.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -1.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173   -0.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525   -0.7911    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  7 10  2  0  0  0  0
 11  4  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 12 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
  6 24  1  0  0  0  0
S  SKP  8
ID	FL1BUNNS0001
KNApSAcK_ID	C00008076
NAME	Crombenin
CAS_RN	37486-29-6
FORMULA	C16H12O8
EXACTMASS	332.05321735999996
AVERAGEMASS	332.26168
SMILES	Oc(c4)cc(O1)c(c(O)4)C(=O)C(O2)1C(O)c(c3)c(cc(O)c(O)3)C2
M  END

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