Mol:FL5FGGNS0001

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Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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   -3.3287   -2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8745   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9314   -4.0187    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
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 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
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
  8 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  27  28
M  SBL   3  1  29
M  SMT   3  OCH3
M  SVB   3 29   -1.0494    0.7182
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27    0.5403   -1.0246
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25   -2.5983   -0.7269
S  SKP  8
ID	FL5FGGNS0001
KNApSAcK_ID	C00004858
NAME	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
CAS_RN	99816-52-1
FORMULA	C18H16O10
EXACTMASS	392.074346732
AVERAGEMASS	392.31363999999996
SMILES	O(C(c(c3)cc(O)c(O)c(O)3)=1)c(c2OC)c(c(c(c2O)OC)O)C(C1OC)=O
M  END

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