Mol:LBF20207PG21

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LBF20207PG21.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 26  0  0  0  0  0  0  0  0999 V2000 
    2.5878   -0.3953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.2788   -1.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0878   -1.9341    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.8968   -1.3463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.5878   -0.3953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.1756    0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7688    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3566    2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9499    3.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5377    3.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1309    4.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7187    5.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8479   -1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0558   -2.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0068   -2.9425    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.2147   -3.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1658   -4.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3737   -5.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3248   -5.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5327   -6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0878   -2.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7743    1.4318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6591   -4.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7132    5.4769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3120    6.4950    0.0000 O   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 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  1  5  1  0  0  0  0 
  5  6  1  6  0  0  0 
  6  7  1  0  0  0  0 
  1 21  1  6  0  0  0 
  3 22  1  6  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 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
  7 23  2  0  0  0  0 
  4 13  1  1  0  0  0 
 13 14  2  0  0  0  0 
 14 15  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 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 15 24  1  1  0  0  0 
 12 25  1  0  0  0  0 
 12 26  2  0  0  0  0 
S  SKP  5 
ID	LBF20207PG21 
FORMULA	C20H34O6 
EXACTMASS	370.23553882 
AVERAGEMASS	370.48036 
SMILES	C(CC[C@@H](O)C=C[C@H]([C@@H](CC(=O)CCCCC(O)=O)1)[C@@H](C[C@@H]1O)O)CC 
M  END
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