Mol:FLID3ANS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 24  0  0  0  0  0  0  0  0999 V2000 
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   -2.1039   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.4350   -0.4484    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.1213   -0.1272    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.1213    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350    0.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722   -1.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722   -0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4333   -1.1348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.4612    1.1339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9613    1.9999    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 
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  7 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 12 17  1  0  0  0  0 
  6 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  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.4612    1.1339 
S  SKP  8 
ID	FLID3ANS0006 
KNApSAcK_ID	C00009997 
NAME	Melilotocarpan B 
CAS_RN	83013-83-6 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c4)c(O)c(O3)c(c4)C(O1)C(C3)c(c2)c(cc(O)c2)1 
M  END