Mol:FL3FGCNS0005

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FL3FGCNS0005.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.8930   -1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2604   -1.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0407   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4536    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0862   -0.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3059   -0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2339    0.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6468    1.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2794    0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4991    0.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7406    0.6910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.8891    2.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5338    2.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7577    1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3369    1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1126   -1.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4084   -0.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7075    3.4643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3743    2.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.3346    2.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9185   -0.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8803   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3518   -1.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9394   -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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  6 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  2 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27   -2.5983   -0.6877 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25   -1.0494    0.7574 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    1.7479    1.7424 
S  SKP  8 
ID	FL3FGCNS0005 
KNApSAcK_ID	C00003928 
NAME	Sudachitin;Menthocubanone;Menthokubanone;4',5,7-Trihydroxy-3',6,8-trimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	4281-28-1 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	O(C(c(c3)cc(OC)c(O)c3)=2)c(c1OC)c(C(=O)C2)c(c(c1O)OC)O 
M  END
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