Mol:FLIDHXNS0001

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FLIDHXNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 28  0  0  0  0  0  0  0  0999 V2000
    0.0508   -0.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3877   -0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2119    0.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1752    0.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3913    1.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8733   -0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3017    0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890   -0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    0.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8861    0.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8438   -0.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0640    1.1184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8890    1.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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 11  2  0  0  0  0
 11  6  1  0  0  0  0
 11  2  1  0  0  0  0
  3 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
  3 21  1  1  0  0  0
  1 13  1  0  0  0  0
  2 22  1  1  0  0  0
  8 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  23  24
M  SBL   1  1  27
M  SMT   1 ^OCH3
M  SBV   1 27   -5.2740    4.7210
S  SKP  8
ID	FLIDHXNS0001
KNApSAcK_ID	C00000651
NAME	(+)-Pisatin;6a-Hydroxy-3-methoxy-8,9-methylenedioxypterocarpan
CAS_RN	469-01-2
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c5)cc(O4)c(c5)C([H])(O1)C(O)(C4)c(c2)c(cc(O3)c(OC3)2)1
M  END

</pre>

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