Mol:FLIE1ANI0002

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Copyright: ARM project http://www.metabolome.jp/
 26 30  0  0  0  0  0  0  0  0999 V2000
   -1.3369    1.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3369    0.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2243    0.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2243    1.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7806    1.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3320    0.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8883    0.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8883    1.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3320    1.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4444    0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4444   -0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0391   -0.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6339   -0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6339    0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0391    0.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378   -0.5557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281   -0.8990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4444    1.4154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8850    0.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8850   -0.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6072   -0.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8850   -1.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1209   -0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -1.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690    1.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
  9 19  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  1 26  1  0  0  0  0
S  SKP  8
ID	FLIE1ANI0002
KNApSAcK_ID	C00009776
NAME	Psoralidin oxide
CAS_RN	-
FORMULA	C20H16O6
EXACTMASS	352.094688244
AVERAGEMASS	352.33744
SMILES	O(C1Cc(c(O)5)cc(c42)c(c5)OC(c2c(c3)c(o4)cc(O)c3)=O)C1(C)C
M  END

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