Mol:FL5FEANSS002

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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    2.0315    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0315    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8975    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8975   -0.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781   -0.7709    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781   -0.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781   -1.3147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8838   -0.8121    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
 15 19  1  0  0  0  0
 20  1  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
  8 22  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  28
M  SMT   1 ^OCH3
M  SBV   1 28   -6.7398    4.8627
S  SKP  8
ID	FL5FEANSS002
KNApSAcK_ID	C00004953
NAME	6-Methoxykaempferol 3-O-sulfate
CAS_RN	111348-29-9
FORMULA	C16H12O10S
EXACTMASS	396.015117294
AVERAGEMASS	396.32648000000006
SMILES	COc(c(O)3)c(O)c(c(c3)2)C(=O)C(OS(O)(=O)=O)=C(O2)c(c1)ccc(O)c1
M  END

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