Mol:FLIAALNS0006

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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   -1.3486    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2359    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923    1.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5097   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149    0.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2418   -1.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3758   -1.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8184    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
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  1 23  1  0  0  0  0
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 25 26  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  25  26
M  SBL   4  1  27
M  SMT   4  OCH3
M  SVB   4 27    2.1039    0.2048
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   -2.8184    1.4439
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   -0.3943   -0.7557
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    1.7467   -1.0314
S  SKP  8
ID	FLIAALNS0006
KNApSAcK_ID	C00009484
NAME	Robustigenin;5-Hydroxy-7,2',4',5'-tetramethoxyisoflavone
CAS_RN	72545-39-2
FORMULA	C19H18O7
EXACTMASS	358.10525293
AVERAGEMASS	358.34202000000005
SMILES	c(c(OC)1)(OC)cc(c(C(C3=O)=COc(c23)cc(OC)cc2O)c1)OC
M  END

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