Mol:FL3FAGGS0003

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Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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    0.7957    0.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5726    0.6339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706   -0.0077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1356   -0.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501   -0.7420    0.0000 O   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
  1 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 14 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 24 22  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1 CH2OH
M  SBV   1 35   -8.5074    3.5388
S  SKP  8
ID	FL3FAGGS0003
KNApSAcK_ID	C00004453
NAME	Tricetin 3'-glucoside
CAS_RN	22149-72-0
FORMULA	C21H20O12
EXACTMASS	464.095476104
AVERAGEMASS	464.37629999999996
SMILES	c(c(O)4)c(O)c(c(c4)1)C(=O)C=C(c(c2)cc(OC(O3)C(O)C(O)C(O)C3CO)c(O)c(O)2)O1
M  END

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