Mol:FL1C29NS0001

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Copyright: ARM project http://www.metabolome.jp/
 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.9517    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953    0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2736   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297   -0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467   -0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -1.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953   -1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077    0.6768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1173    1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4028    0.8374    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  2  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
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
  6 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  20
M  SMT   1 OCH3
M  SBV   1 20   -4.4126    2.9088
S  SKP  8
ID	FL1C29NS0001
KNApSAcK_ID	C00006932
NAME	Flemichapparin
CAS_RN	28143-82-0
FORMULA	C16H14O4
EXACTMASS	270.089208936
AVERAGEMASS	270.27996
SMILES	COc(c1)c(O)cc(O)c1C(=O)C=Cc(c2)cccc2
M  END

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