Mol:FLIE1CNS0001

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Copyright: ARM project http://www.metabolome.jp/
 22 26  0  0  0  0  0  0  0  0999 V2000
   -2.2357    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6794   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6794    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5668   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5668    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1404   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7352   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7352   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1404    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610   -0.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7920    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883   -1.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883    0.0850    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
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
  9 19  2  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 15  1  0  0  0  0
S  SKP  8
ID	FLIE1CNS0001
KNApSAcK_ID	C00009760
NAME	Medicagol;3-Hydroxy-8,9-methylenedioxycoumestan;7-Hydroxy-11,12-methylenedioxycoumestan
CAS_RN	1983-72-8
FORMULA	C16H8O6
EXACTMASS	296.032087988
AVERAGEMASS	296.23112000000003
SMILES	Oc(c5)cc(O4)c(c5)c(o1)c(C(=O)4)c(c2)c(cc(O3)c(OC3)2)1
M  END

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