Mol:FLID3CNS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.2825    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262   -0.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136   -0.1053    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0573    0.2159    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0573    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -1.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6119   -0.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -1.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5543   -1.2920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203   -1.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    1.4770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1398    2.3430    0.0000 C   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  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  0  0  0  0
 12 17  1  0  0  0  0
  6 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25   -2.6398     1.477
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23    1.9253   -0.9983
S  SKP  8
ID	FLID3CNS0005
KNApSAcK_ID	C00009998
NAME	Melilotocarpan D;4,10-Dihydroxy-3,9-dimethoxypterocarpan
CAS_RN	83013-81-4
FORMULA	C17H16O6
EXACTMASS	316.094688244
AVERAGEMASS	316.30534
SMILES	COc(c4)c(O)c(O3)c(c4)C(O1)C(C3)c(c2)c1c(O)c(OC)c2
M  END

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