Mol:FL5FGCNS0020

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.1040   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5477   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9914   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9914   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5477    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1212   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1212   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8112    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8112    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7149    0.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0925   -0.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7149   -1.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9841   -1.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2697   -1.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    2.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2697    0.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8332    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8112    0.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8112    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872   -1.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -1.8137    0.0000 C   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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
  8 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  29  30
M  SBL   5  1  32
M  SMT   5  OCH3
M  SVB   5 32    0.3315   -0.9987
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  27  28
M  SBL   4  1  30
M  SMT   4  OCH3
M  SVB   4 30     2.378    1.1317
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  28
M  SMT   3  OCH3
M  SVB   3 28   -1.2697    0.7229
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26    1.5277    1.7079
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -1.9841   -1.2954
S  SKP  8
ID	FL5FGCNS0020
KNApSAcK_ID	C00005062
NAME	Melicophyllin
CAS_RN	119968-22-8
FORMULA	C21H20O9
EXACTMASS	416.11073223799997
AVERAGEMASS	416.37809999999996
SMILES	C(O1)Oc(c(OC)2)c1c(OC)c(O3)c2C(C(=C(c(c4)cc(c(c4)OC)OC)3)OC)=O
M  END

</pre>