Mol:FLIE1ANI0005

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Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
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   -0.0677    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1575    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6012    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7136   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7136   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3084   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9032   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6029   -0.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7137    1.1570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4974   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6238    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  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 10  1  0  0  0  0
  7 16  1  0  0  0  0
 11 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17  9  1  0  0  0  0
 17 18  2  0  0  0  0
 13 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  1 30  1  0  0  0  0
S  SKP  8
ID	FLIE1ANI0005
KNApSAcK_ID	C00010061
NAME	Puerarol;3,9-Dihydroxy-2-geranylcoumestan
CAS_RN	155645-56-0
FORMULA	C25H24O5
EXACTMASS	404.162373878
AVERAGEMASS	404.45506
SMILES	c(o4)(c2c(c43)ccc(O)c3)c(c(OC(=O)2)1)cc(c(c1)O)CC=C(C)CCC=C(C)C
M  END

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