Mol:FL1D1CNS0002

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Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.2867    0.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867   -0.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7327   -0.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1787   -0.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1787    0.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7327    0.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0725   -0.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788   -0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674   -0.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1057   -0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1057    0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674    0.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290    0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -1.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6440    0.7814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6440   -0.4617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7327   -1.1088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6440    1.1088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1441    1.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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 11  2  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 10  1  0  0  0  0
  7 16  2  0  0  0  0
 13 17  1  0  0  0  0
 12 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 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  21
M  SMT   1  OCH3
M  SVB   1 21    -2.644    1.1088
S  SKP  8
ID	FL1D1CNS0002
KNApSAcK_ID	C00007935
NAME	Dihydrocalythropsin
CAS_RN	151703-05-8
FORMULA	C16H16O5
EXACTMASS	288.099773622
AVERAGEMASS	288.29524
SMILES	COc(c2)cc(O)c(c2)C(=O)CCc(c1)cc(O)c(O)c1
M  END

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