Mol:FL3FGGNS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
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    2.5402   -0.3503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  3  4  1  0  0  0  0 
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M  STY  1   7 SUP 
M  SLB  1   7   7 
M  SAL   7  2  30  31 
M  SBL   7  1  32 
M  SMT   7  OCH3 
M  SVB   7 32   -2.9555   -0.7222 
M  STY  1   6 SUP 
M  SLB  1   6   6 
M  SAL   6  2  28  29 
M  SBL   6  1  30 
M  SMT   6  OCH3 
M  SVB   6 30     2.241    1.1317 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  26  27 
M  SBL   5  1  28 
M  SMT   5  OCH3 
M  SVB   5 28   -2.5983    0.4474 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  24  25 
M  SBL   4  1  26 
M  SMT   4  OCH3 
M  SVB   4 26   -1.4067    0.7229 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24    1.3907    1.7079 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22    1.8838   -0.0565 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -2.1212   -1.2954 
S  SKP  8 
ID	FL3FGGNS0008 
KNApSAcK_ID	C00003977 
NAME	5,6,7,8,3',4',5'-Heptamethoxyflavone 
CAS_RN	6965-36-2 
FORMULA	C22H24O9 
EXACTMASS	432.14203236599997 
AVERAGEMASS	432.42056 
SMILES	C(=O)(C=1)c(c(OC)3)c(c(OC)c(OC)c(OC)3)OC(c(c2)cc(c(c(OC)2)OC)OC)1 
M  END