Mol:FLII1LNI0001

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FLII1LNI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.5527    0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5527   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9964   -0.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4401   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4401    0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9964    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8838   -0.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3275   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2286   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8820   -1.1630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1088    0.7874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2286   -1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8054   -1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3821   -1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3821   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8054   -0.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9585   -1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9964   -1.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3821   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9585    0.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5336    0.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5336    1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1088    0.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5393    1.3100    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
  1 11  1  0  0  0  0 
  9 12  2  0  0  0  0 
 12 10  1  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  9  1  0  0  0  0 
 14 17  1  0  0  0  0 
  3 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 16 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26    1.0936    0.4148 
S  SKP  8 
ID	FLII1LNI0001 
KNApSAcK_ID	C00010076 
NAME	Licocoumarone 
CAS_RN	118524-14-4 
FORMULA	C20H20O5 
EXACTMASS	340.13107375 
AVERAGEMASS	340.3698 
SMILES	C(c(c3OC)c(O)cc(c31)oc(c(c2)c(O)cc(O)c2)c1)C=C(C)C 
M  END
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