Mol:FL1CPTNS0002

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
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   -1.3482   -1.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3122   -1.3211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7497    1.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842    1.3912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842    0.1334    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
  1 14  1  0  0  0  0
  3 15  1  0  0  0  0
  7 16  2  0  0  0  0
 11 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 12  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
S  SKP  8
ID	FL1CPTNS0002
KNApSAcK_ID	C00007180
NAME	Mopachalcone
CAS_RN	38279-57-1
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	Oc(c3)cc(O)c(c3)C(=O)C(O2)=Cc(c1)c(C2)c(O)c(O)c1
M  END

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