Mol:FL4DACGS0023

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
   -2.0879    0.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5670   -0.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461    0.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461    0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5670    1.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0879    0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5252   -0.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0044    0.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0044    0.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5252    1.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5252   -0.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5753    1.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041    0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328    1.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328    1.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041    2.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5753    1.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5386    1.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639   -0.3908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1615    2.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041    2.6131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445   -1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799   -1.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0100   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799   -0.3224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6445   -0.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8143   -0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708   -0.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7820   -1.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507   -1.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386   -1.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5670   -0.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2311   -1.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401   -2.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6746   -2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1903   -2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8156   -1.7186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480   -1.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449   -2.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4385   -2.3350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808   -2.6131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0505   -1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7464   -1.3947    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
  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  2  0  0  0  0
  9 12  1  6  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
  6 18  1  0  0  0  0
  8 19  1  1  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 27 22  1  1  0  0  0
 27 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 31  1  0  0  0  0
 26 19  1  0  0  0  0
  2 32  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 33 39  1  0  0  0  0
 34 40  1  0  0  0  0
 35 41  1  0  0  0  0
 36 29  1  0  0  0  0
 38 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  42  43
M  SBL   1  1  46
M  SMT   1 ^CH2OH
M  SBV   1 46   -6.1386    4.6834
S  SKP  8
ID	FL4DACGS0023
KNApSAcK_ID	C00008715
NAME	Huangqioside E
CAS_RN	138822-69-2
FORMULA	C27H32O16
EXACTMASS	612.1690349759999
AVERAGEMASS	612.53338
SMILES	C(C2c(c5)ccc(O)c5O)(OC(O4)C(C(C(O)C4C)OC(O3)C(O)C(O)C(O)C3CO)O)C(c(c1O2)c(O)cc(c1)O)=O
M  END

</pre>