Mol:FLICWXNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -0.5368    2.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9053    1.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6338    1.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0061    1.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3746    1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1031    2.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2776    0.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9175    0.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2860    1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0145    1.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1889    0.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7950   -0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0853   -1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7695   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1634   -0.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8731   -0.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8082    2.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6917   -1.7175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2495   -0.0663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1921   -2.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6147   -3.0279    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 
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  8 11  1  0  0  0  0 
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  1  2  1  0  0  0  0 
  1 17  1  0  0  0  0 
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 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23    2.0247   -0.6772 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -0.1163   -0.4015 
S  SKP  8 
ID	FLICWXNS0005 
KNApSAcK_ID	C00009752 
NAME	2'-O-Methylsepiol;7,3'-Dihydroxy-2',4'-dimethoxyisoflavene 
CAS_RN	62078-14-2 
FORMULA	C17H16O5 
EXACTMASS	300.099773622 
AVERAGEMASS	300.30593999999996 
SMILES	COc(c3)c(O)c(OC)c(c3)C(C1)=Cc(c2)c(cc(O)c2)O1 
M  END