Mol:FL1CQUNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 24  0  0  0  0  0  0  0  0999 V2000
    1.4796    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359   -0.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359    0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3464   -0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9027   -0.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097   -0.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7707   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097   -1.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7707    0.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233    0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8760    0.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8760   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233   -0.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233   -1.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953    0.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4285   -0.5964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9173    0.7068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6650    0.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0471    1.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6123    2.1523    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  2  0  0  0  0
 16 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  2  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -1.0471    1.2518
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -1.7672    0.6918
S  SKP  8
ID	FL1CQUNS0002
KNApSAcK_ID	C00007175
NAME	Methylpedicinin
CAS_RN	77646-06-1
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c(=O)1)c(OC)c(=O)c(C(=O)C=Cc(c2)cccc2)c(O)1
M  END

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