Mol:FLIAEANS0010

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  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
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   -2.6600    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8184    0.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8103    0.5500    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
  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25    2.1039   -0.8826
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -2.8184     0.423
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21    -1.984   -0.1502
S  SKP  8
ID	FLIAEANS0010
KNApSAcK_ID	C00009470
NAME	5-Methoxyafrormosin;7-Hydroxy-5,6,4'-trimethoxyisoflavone
CAS_RN	53505-61-6
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	c(c3OC)(O)cc(c1c3OC)OC=C(c(c2)ccc(OC)c2)C1=O
M  END

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