Mol:FL7ACINS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.2410   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0158   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721    0.1844    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.5403    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6742    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5983    0.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0983    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063   -0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8322    2.6396    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  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  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
  1 20  1  0  0  0  0
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 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    1.3907    1.7424
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    1.8838    -0.022
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.5983     0.482
S  SKP  8
ID	FL7ACINS0001
KNApSAcK_ID	C00006619
NAME	Hirsutidin
CAS_RN	4092-66-4
FORMULA	C18H17O7
EXACTMASS	345.097427898
AVERAGEMASS	345.32338000000004
SMILES	c(c1O)(OC)cc(c([o+1]3)c(O)cc(c32)c(O)cc(OC)c2)cc1OC
M  END

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