Mol:FLIFWYNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 30  0  0  0  0  0  0  0  0999 V2000
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   -1.1699    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136   -0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0573    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6883   -0.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136   -0.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1206    0.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990    1.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262   -0.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6883   -0.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883   -0.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762   -1.3612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907   -1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    1.4227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1398    2.2887    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  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  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  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  1  2  1  0  0  0  0
  3 20  1  0  0  0  0
 19 21  2  0  0  0  0
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 22 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  26  27
M  SBL   3  1  29
M  SMT   3  OCH3
M  SVB   3 29   -2.6398    1.4227
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27    0.6762   -1.3612
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  SVB   1 25    1.9253   -1.0525
S  SKP  8
ID	FLIFWYNS0001
KNApSAcK_ID	C00009595
NAME	Stemonone
CAS_RN	41059-87-4
FORMULA	C19H14O8
EXACTMASS	370.068867424
AVERAGEMASS	370.30966
SMILES	c(c4OC)(OC)cc(c(c4)1)OC(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)1)=O
M  END

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