Mol:FLID1CNS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.1830    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    0.1647    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    0.4859    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7393    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7757   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4902   -1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7879   -0.5220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7879   -0.5220    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
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    2.0248   -0.7282
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22    0.7757   -1.0369
S  SKP  8
ID	FLID1CNS0005
KNApSAcK_ID	C00009617
NAME	Methylnissolin;3-Hydroxy-9,10-dimethoxypterocarpan
CAS_RN	73340-41-7
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c4)c(OC)c(O1)c(c4)C(C2)C1c(c3)c(cc(O)c3)O2
M  END

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