Mol:FL63ACNS0012

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.5207   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5564   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5564   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179    0.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0949   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0949    0.1637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0589    0.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -1.0641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130    0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6577   -0.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6577    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8006    0.9530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179   -1.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6577    1.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6774   -0.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6774   -0.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2954    0.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2954    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7973    1.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2993    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2993    0.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7973   -0.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7973    1.6115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8006    1.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8006   -0.1262    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  8 12  1  1  0  0  0
  9 13  1  6  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
  3 20  1  0  0  0  0
 17 21  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
S  SKP  8
ID	FL63ACNS0012
KNApSAcK_ID	C00008872
NAME	Catechin 7-O-gallate
CAS_RN	89702-01-2
FORMULA	C22H18O10
EXACTMASS	442.089996796
AVERAGEMASS	442.37232000000006
SMILES	C(C3O)c(c(OC3c(c4)ccc(c4O)O)1)c(O)cc(OC(=O)c(c2)cc(O)c(O)c(O)2)c1
M  END

</pre>