Mol:FL1C29NS0001

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FL1C29NS0001.png

 
 
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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