Mol:FLIA2LNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.1566    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1566    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6003   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0440    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0440    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6003    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4877   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0686    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0686    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4877    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8142   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8142   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4877   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7127    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674   -1.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674    0.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8711    0.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1566   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898   -0.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247   -1.1571    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
  8 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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  25
M  SMT   1 ^OCH3
M  SBV   1 25   -6.7857    3.3408
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  27
M  SMT   2 ^OCH3
M  SBV   2 27   -6.7857    3.3188
S  SKP  8
ID	FLIA2LNS0002
KNApSAcK_ID	C00009419
NAME	Dalpatein
CAS_RN	40009-88-9
FORMULA	C18H14O7
EXACTMASS	342.073952802
AVERAGEMASS	342.29956000000004
SMILES	c(c34)c(c(OC)cc3OCO4)C(C2=O)=COc(c21)cc(O)c(OC)c1
M  END

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