Mol:FLIAE8NS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.2016    0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2016    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7358   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2701    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2701    0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7358    0.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957    0.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273   -0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930   -0.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0588   -0.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0588   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957   -0.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7498    0.8192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0588    0.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7017   -0.0978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930    0.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276   -0.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132   -0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
 11 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 12  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
 12 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  25
M  SMT   1 OCH3
M  SBV   1 25   -5.3296    4.3800
S  SKP  8
ID	FLIAE8NS0001
KNApSAcK_ID	C00002509
NAME	Betavulgarin;2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone
CAS_RN	51068-94-1
FORMULA	C17H12O6
EXACTMASS	312.063388116
AVERAGEMASS	312.27358
SMILES	COc(c21)c(C(=O)3)c(OC=C(c(c4)c(O)ccc4)3)cc(OCO2)1
M  END

</pre>