Mol:FLICWXNS0007

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
    3.1952   -3.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2512   -2.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250   -2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428   -2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0868   -2.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -3.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6166   -1.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344   -2.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9785   -2.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5046   -3.2166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5084   -1.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5683   -1.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0057   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6168   -1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -1.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140   -2.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7212   -3.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -0.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331   -2.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4359   -0.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2551    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740   -1.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.8140    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  2  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
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 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  24
M  SMT   2  OCH3
M  SVB   2 24   -0.1163   -0.4015
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22    2.0247   -0.6772
S  SKP  8
ID	FLICWXNS0007
KNApSAcK_ID	C00009754
NAME	6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavene
CAS_RN	84994-55-8
FORMULA	C17H16O6
EXACTMASS	316.094688244
AVERAGEMASS	316.30534
SMILES	COc(c3)c(O)c(OC)c(c3)C(C2)=Cc(c1)c(O2)cc(O)c(O)1
M  END

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