Mol:FLIC1LNS0007

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.2825    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262   -0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136   -0.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.1827    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0573    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0954   -1.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1398    2.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5543   -1.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203   -1.8252    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  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
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22    1.9253   -1.0314
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -2.6398    1.4439
S  SKP  8
ID	FLIC1LNS0007
KNApSAcK_ID	C00009711
NAME	Isosativan;2'-Hydroxy-7,4'-dimethoxyisoflavan
CAS_RN	60102-29-6
FORMULA	C17H18O4
EXACTMASS	286.120509064
AVERAGEMASS	286.32241999999997
SMILES	COc(c3)cc(O)c(c3)C(C2)Cc(c1)c(O2)cc(OC)c1
M  END

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