Mol:FLIECANI0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 30  0  0  0  0  0  0  0  0999 V2000
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   -1.3849    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2723    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2723    1.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286    1.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2840    0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8403    0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8403    1.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2840    1.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964    0.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964   -0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5859    0.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9911    0.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2898   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1801   -0.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964    1.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9330   -0.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5566   -1.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5566   -1.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1801   -0.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286   -0.6029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7422    1.6215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2422    2.4875    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  2  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
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
  9 19  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  3 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  29
M  SMT   1  OCH3
M  SVB   1 29   -1.7422    1.6215
S  SKP  8
ID	FLIECANI0001
KNApSAcK_ID	C00009777
NAME	Glycyrol;Neoglycyrol;1,9-Dihydroxy-3-methoxy-2-prenylcoumestan
CAS_RN	23013-84-5
FORMULA	C21H18O6
EXACTMASS	366.110338308
AVERAGEMASS	366.36402
SMILES	COc(c(CC=C(C)C)4)cc(c3c4O)OC(c(c23)c(c1)c(o2)cc(O)c1)=O
M  END

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