Mol:FL1A3CGS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
    0.0911   -1.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0911   -0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4281   -0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473   -0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473   -1.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4281   -1.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6613   -1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0137   -0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6613   -0.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4665   -0.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4555   -0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393   -0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396   -1.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402   -1.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5404   -0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1399   -0.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8056   -1.9295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5399    0.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6261   -0.3217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2549   -0.8117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7204   -0.6038    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2047   -0.5982    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5795   -0.2234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0471   -0.4702    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9663    0.1642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6054   -1.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4142   -1.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0185   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4281    0.2932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4328    0.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9901    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2542    1.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2630    1.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969    1.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292    1.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8939    1.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6263    1.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8939    1.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292    1.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914    1.4659    0.0000 O   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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  8 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 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
  7 19  2  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 26 30  1  0  0  0  0
 24 10  1  0  0  0  0
  3 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 40 43  1  0  0  0  0
S  SKP  8
ID	FL1A3CGS0003
KNApSAcK_ID	C00008052
NAME	Maritimetin 6-(6''-p-coumarylglucoside)
CAS_RN	134955-55-8
FORMULA	C30H26O13
EXACTMASS	594.137340918
AVERAGEMASS	594.51964
SMILES	Oc(c1)c(ccc1C=c(c(=O)2)oc(c3O)c2ccc3O[C@@H]([C@H]5O)OC([C@H](O)[C@@H]5O)COC(C=Cc(c4)ccc(O)c4)=O)O
M  END

</pre>