Mol:FL63AGNN0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 38  0  0  0  0  0  0  0  0999 V2000
    1.0509   -1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403   -1.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -2.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403   -2.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509   -2.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0809   -1.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -2.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0809   -2.9665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0809   -0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3806   -2.8964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7426   -2.9556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7615   -1.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7615   -0.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509   -0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403   -0.5050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3806   -0.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509    0.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7326    1.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7326    1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509    2.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3692    1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3692    1.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509    2.9665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2801    2.1851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3687   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3687    0.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0809    1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930    0.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0809    1.6774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3157    0.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    2.2049    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
  3  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  4  1  0  0  0  0
  7 11  1  1  0  0  0
  9 12  2  0  0  0  0
  6 13  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17  2  1  0  0  0  0
 15 18  1  6  0  0  0
 16 19  1  6  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 11 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 11  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 23 34  1  0  0  0  0
S  SKP  8
ID	FL63AGNN0004
KNApSAcK_ID	C00013263
NAME	Apocynin A;(2R,3S,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one
CAS_RN	246152-21-6
FORMULA	C24H20O10
EXACTMASS	468.10564686
AVERAGEMASS	468.40959999999995
SMILES	c(c1C(c25)CC(=O)Oc2cc(c(c35)CC(C(c(c4)cc(c(O)c(O)4)O)O3)O)O)cc(c(c1)O)O
M  END

</pre>