Mol:FL3F9CGS0001

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Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
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   -3.9310   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7058   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7058   -0.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5511    0.9787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5965    1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    0.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9543    1.0117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    0.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0921    1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8766    1.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6535    1.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6514    1.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5827    1.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310    0.4128    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
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 20 18  1  0  0  0  0
 16 28  1  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1 CH2OH
M  SBV   1 32   -7.2509    3.6005
S  SKP  8
ID	FL3F9CGS0001
KNApSAcK_ID	C00004119
NAME	3',4'-Dihydroxyflavone 4'-glucoside
CAS_RN	-
FORMULA	C21H20O9
EXACTMASS	416.11073223799997
AVERAGEMASS	416.37809999999996
SMILES	c(C(=O)4)(c(OC(=C4)c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)1)cccc1
M  END

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