Mol:FL2FEANS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
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   -1.8838   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.3414   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3414    0.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
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    0.8975    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -1.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  1  2  1  0  0  0  0 
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  3  4  1  0  0  0  0 
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  3 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -1.7639   -1.0073 
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   -2.5983   -0.4342 
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    -2.241    0.7355 
S  SKP  8 
ID	FL2FEANS0007 
KNApSAcK_ID	C00008277 
NAME	4'-Hydroxy-5,6,7-trimethoxyflavanone 
CAS_RN	72943-91-0 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	c(c1OC)c(O2)c(C(=O)CC2c(c3)ccc(O)c3)c(c1OC)OC 
M  END