Mol:FLIAECNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.9253    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9253    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8127    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8127    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2999    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2564    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4508   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4508    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6398   -0.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    0.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0334   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479   -1.4494    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  2  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  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1 ^OCH3
M  SBV   1 23   -6.5544    3.6328
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2 OCH3
M  SBV   2 25   -6.2573    3.3698
S  SKP  8
ID	FLIAECNS0002
KNApSAcK_ID	C00009474
NAME	Iristectorigenin B;5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone
CAS_RN	39012-01-6
FORMULA	C17H14O7
EXACTMASS	330.073952802
AVERAGEMASS	330.28886
SMILES	COc(c(O)3)cc(cc3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)1
M  END

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