Mol:FL1C3AGS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 44 47  0  0  0  0  0  0  0  0999 V2000
    0.8692   -0.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692   -1.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837   -1.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981   -1.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981   -0.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0126   -1.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7271   -1.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7271   -0.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4416    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1560   -0.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8705    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8705    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1560    1.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4416    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0126   -2.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5590    1.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4542    0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2011   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3899   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8677    0.2797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6429   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8542    0.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8899   -0.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4473   -0.3092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118   -0.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837   -2.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1825    0.1521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1693   -1.4735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4374    0.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8493    1.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4374    2.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6732    1.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0852    0.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9090    0.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3215    1.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1465    1.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5590    0.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1465    0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3215    0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118   -1.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8527   -1.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8346   -1.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
 13 17  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  1  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
  3 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
 29 21  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 36  1  0  0  0  0
 31 24  1  0  0  0  0
 27 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
S  SKP  8
ID	FL1C3AGS0003
KNApSAcK_ID	C00014501
NAME	4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-acetyl-6''-O-cinnamoyl)glucoside
CAS_RN	213473-58-6
FORMULA	C32H30O12
EXACTMASS	606.173726424
AVERAGEMASS	606.5734
SMILES	C(c(c4)ccc(O)c4)=CC(=O)c(c3O)ccc(c(O)3)OC(O1)C(C(C(O)C1COC(=O)C=Cc(c2)cccc2)O)OC(C)=O
M  END

</pre>