Mol:FLID1CNS0003

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FLID1CNS0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 24  0  0  0  0  0  0  0  0999 V2000
   -2.1830    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    0.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    0.2157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    0.5369    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    1.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7393    1.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -1.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539   -0.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.4709    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  1  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
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23    2.0248   -0.6772
S  SKP  8
ID	FLID1CNS0003
KNApSAcK_ID	C00009614
NAME	Vesticarpan;3,10-Dihydroxy-9-methoxypterocarpan
CAS_RN	69853-46-9
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COc(c4)c(O)c(O1)c(c4)C(C2)C1c(c3)c(cc(O)c3)O2
M  END

</pre>

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