Mol:FLIA2LNS0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.1039    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6600    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722    1.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8184    0.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991   -1.6763    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  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  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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 16 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 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    2.1039   -0.8826
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   -2.8184     0.423
S  SKP  8
ID	FLIA2LNS0006
KNApSAcK_ID	C00009851
NAME	7,2'-Dihydroxy-6,4'-dimethoxyisoflavone
CAS_RN	73354-23-1
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)cc(O)c(c3)C(=C2)C(=O)c(c1)c(O2)cc(O)c(OC)1
M  END

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