Mol:FLIHBCNP0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 34  0  0  0  0  0  0  0  0999 V2000
   -1.4278    1.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8715    0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3152    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3152    1.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8715    1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2411    0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7974    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7974    1.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2411    1.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535    0.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535   -0.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483   -0.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5431   -0.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5431    0.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9483    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535    1.3801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9841    1.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5404    1.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5404    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9841    0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5404    1.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0535    0.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0911   -1.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7741   -1.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535   -1.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5192   -0.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3079   -0.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5934   -0.4776    0.0000 C   0  0  0  0  0  0  0  0  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  2  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
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  9 17  2  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 21  2  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 14  1  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  0  0  0  0
  3 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  31
M  SMT   1 OCH3
M  SBV   1 31   -5.2220    5.0853
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  29  30
M  SBL   2  1  33
M  SMT   2 OCH3
M  SBV   2 33   -5.2220    5.0853
S  SKP  8
ID	FLIHBCNP0002
KNApSAcK_ID	C00009790
NAME	Robustin methyl ether
CAS_RN	22044-62-8
FORMULA	C23H20O7
EXACTMASS	408.120902994
AVERAGEMASS	408.40070000000003
SMILES	c(c5)(ccc(c54)OCO4)C(=C1OC)C(=O)Oc(c2)c(c(OC)c(C=3)c2OC(C3)(C)C)1
M  END

</pre>