Mol:FL3FGCNS0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
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   -2.1124   -1.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7329   -1.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8992   -2.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4450   -2.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8245   -2.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5197   -2.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6859   -2.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2317   -3.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6112   -3.2195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8738   -1.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3979   -4.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0303   -4.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1997   -4.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7367   -5.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.9349   -4.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1870   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6159   -3.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -4.4438   -5.9779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1510   -6.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.4747   -1.0232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2966   -1.0952    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  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 16 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
  2 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  27  28 
M  SBL   5  1  29 
M  SMT   5  OCH3 
M  SVB   5 29   -2.9555   -0.6877 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27   -2.5983     0.482 
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    1.3907    1.7424 
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     2.241    1.1662 
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   -1.4067    0.7574 
S  SKP  8 
ID	FL3FGCNS0012 
KNApSAcK_ID	C00003936 
NAME	Demethylnobiletin;5-Hydroxy-6,7,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one 
CAS_RN	2174-59-6 
FORMULA	C20H20O8 
EXACTMASS	388.11581761599996 
AVERAGEMASS	388.368 
SMILES	c(c1)c(OC)c(cc1C(O3)=CC(c(c32)c(c(c(c(OC)2)OC)OC)O)=O)OC 
M  END