Mol:FL7ACINS0001

 
 
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 
   -1.1284   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -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 
   -1.6847   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -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 
 20 21  1  0  0  0  0 
 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