Mol:FLID4ANS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -3.1131   -0.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4805   -0.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    0.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737    0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3063    0.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5260    0.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540    1.3936    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8669    1.8857    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4995    1.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7192    1.1705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6473    2.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709    2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7360    3.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1775    3.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8539    3.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888    3.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790    1.5185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1584   -0.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355    4.7195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4935    5.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6604   -0.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4265   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5719   -1.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -0.3056    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
  6 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26   -2.8184    0.1019
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   -2.4612    1.2716
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    2.1039   -1.2036
S  SKP  8
ID	FLID4ANS0001
KNApSAcK_ID	C00009633
NAME	4-Hydroxy-2,3,9-trimethoxypterocarpan
CAS_RN	56841-82-8
FORMULA	C18H18O6
EXACTMASS	330.110338308
AVERAGEMASS	330.33191999999997
SMILES	c(c4OC)c(c(c(c4OC)O)1)C(O3)C(c(c32)ccc(OC)c2)CO1
M  END

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