Mol:FLIDHXNI0005

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Copyright: ARM project http://www.metabolome.jp/
 26 29  0  0  0  0  0  0  0  0999 V2000
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   -1.4496    0.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933    0.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370    0.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370    0.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8933    1.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193    0.0097    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7756    0.3309    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7756    0.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193    1.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265   -1.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5213   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5213    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265    0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252   -0.6767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1155   -1.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3317    0.6520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0057    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0057   -0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606   -0.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606   -1.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1155   -0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068    1.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3068    2.4580    0.0000 C   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  1  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
  8 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
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28   -1.8068     1.592
S  SKP  8
ID	FLIDHXNI0005
KNApSAcK_ID	C00009690
NAME	Glyceollin IV;6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpan
CAS_RN	69393-94-8
FORMULA	C21H22O5
EXACTMASS	354.146723814
AVERAGEMASS	354.39638
SMILES	C(C(O)42)Oc(c(C2Oc(c43)cc(O)cc3)1)cc(OC)c(c1)CC=C(C)C
M  END

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