Mol:FLIHALNI0001

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FLIHALNI0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -1.4502    0.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4502    0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8939    0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3376    0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3376    0.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8939    1.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2187    0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7750    0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7750    0.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2187    1.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3311    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3311   -0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9259   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5207   -0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5207    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9259    0.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1149   -1.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3311    1.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7369   -1.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0063    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0063   -0.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5612   -0.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5612   -1.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1149   -0.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8074    1.5913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3074    2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3303   -0.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6158   -0.5640    0.0000 C   0  0  0  0  0  0  0  0  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 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  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 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
 14 17  1  0  0  0  0 
  9 18  2  0  0  0  0 
 12 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
  3 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  27  28 
M  SBL   2  1  29 
M  SMT   2  OCH3 
M  SVB   2 29   -1.3303   -0.1515 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -1.8074    1.5913 
S  SKP  8 
ID	FLIHALNI0001 
KNApSAcK_ID	C00009785 
NAME	Glycyrin;3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin 
CAS_RN	66056-18-6 
FORMULA	C22H22O6 
EXACTMASS	382.141638436 
AVERAGEMASS	382.40648000000004 
SMILES	C(=C2c(c3O)ccc(c3)O)c(c(OC)1)c(OC2=O)cc(OC)c1CC=C(C)C 
M  END
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