Mol:FLIDHYNS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.1256    0.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1256    0.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5693   -0.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0130    0.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0130    0.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5693    1.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4567   -0.0228    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0996    0.2984    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0996    0.9407    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4567    1.2619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557   -0.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557   -0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2505   -1.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453   -0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453   -0.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2505    0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4549   -0.7093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7967    1.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557    1.2618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3702    0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113   -1.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5774   -1.7095    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
  1 18  1  0  0  0  0
  9 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    2.0823   -0.9157
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    0.6557    1.2618
S  SKP  8
ID	FLIDHYNS0003
KNApSAcK_ID	C00010010
NAME	Sophoracarpan A;(6R,6aS,11aR)-3-Hydroxy-6,9-dimethoxypterocarpan
CAS_RN	104700-87-0
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c4)cc(O1)c(c4)C(C(OC)2)C1c(c3)c(cc(O)c3)O2
M  END

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