Mol:FL2FA9NS0003

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Copyright: ARM project http://www.metabolome.jp/
 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.7790    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1101    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1362    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362    1.6360    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
  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.1362      0.77
S  SKP  8
ID	FL2FA9NS0003
KNApSAcK_ID	C00008144
NAME	Pinostrobin
CAS_RN	480-37-5
FORMULA	C16H14O4
EXACTMASS	270.089208936
AVERAGEMASS	270.27996
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)cccc2
M  END

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