Mol:LBPR02010019

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LBPR02010019.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 18  0  0  0  0  0  0  0  0999 V2000 
   -2.4403   -0.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7280   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7280    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4403    0.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0143   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3021   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3021    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0143    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4129    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0143    1.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0143   -1.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4129   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2653    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2653   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1219   -0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8363   -0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5508   -0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2653   -0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  2  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 
  3  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  2  0  0  0  0 
  5 11  2  0  0  0  0 
  6 12  1  0  0  0  0 
  4 13  1  0  0  0  0 
  1 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 12 15  1  0  0  0  0 
S  SKP  5 
ID	LBPR02010019 
FORMULA	C14H20O4 
EXACTMASS	252.13615912799997 
AVERAGEMASS	252.30620000000002 
SMILES	CCCCCc(c(C)1)c(=O)c(OC)c(OC)c(=O)1 
M  END
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