Mol:FL7AACGL0037

<pre>

Copyright: ARM project http://www.metabolome.jp/
 58 63  0  0  0  0  0  0  0  0999 V2000
    1.4741   -0.7154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3307   -0.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092   -0.7710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912   -0.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7921   -0.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0728   -0.5650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517   -0.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2261   -0.6660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0427   -0.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2333   -1.6476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9439   -2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4287   -2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1344   -2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6451   -2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3559   -2.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7775   -2.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4883   -2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7775   -3.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3559   -3.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9108   -2.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2395   -2.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6834    1.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6834    1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1271    0.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    1.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1271    2.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0145    0.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582    1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582    1.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0145    2.1238    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9021    2.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3352    1.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2318    2.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2318    2.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3352    3.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021    2.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2395    2.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7986    3.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1271    0.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0421    0.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1153    0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929    0.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2758    0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6973    0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4434    0.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9355    0.9869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    0.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5265    0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3352    3.7602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1134   -3.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8279   -3.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -1.3442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -1.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  1  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
  3  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 13 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 24  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  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 34  1  0  0  0  0
 24 40  1  0  0  0  0
 37 41  1  0  0  0  0
 26 42  1  0  0  0  0
 43 31  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  1  0  0  0
 46 47  1  1  0  0  0
 48 47  1  1  0  0  0
 48 49  1  0  0  0  0
 49 44  1  0  0  0  0
 44 50  1  0  0  0  0
 49 51  1  0  0  0  0
 48 52  1  0  0  0  0
 47 53  1  0  0  0  0
 45 43  1  0  0  0  0
 53  1  1  0  0  0  0
 38 54  1  0  0  0  0
 20 55  1  0  0  0  0
 55 56  1  0  0  0  0
 18 57  1  0  0  0  0
 57 58  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  55  56
M  SBL   1  1  60
M  SMT   1 ^OCH3
M  SBV   1 60   -7.0246    5.2445
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  57  58
M  SBL   2  1  62
M  SMT   2 ^OCH3
M  SBV   2 62   -6.5502    6.2462
S  SKP  8
ID	FL7AACGL0037
KNApSAcK_ID	C00006807
NAME	Alatanin C
CAS_RN	138688-63-8
FORMULA	C38H41O20
EXACTMASS	817.219118752
AVERAGEMASS	817.72014
SMILES	Oc(c1)c(c2)c([o+1]c(c(c6)cc(O)c(c6)O)c2OC(O3)C(O)C(C(C3COC(C(O)5)OC(C(O)C(O)5)COC(C=Cc(c4)cc(c(O)c(OC)4)OC)=O)O)O)cc1O
M  END

</pre>