Mol:FLIAELNS0002

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FLIAELNS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.8834    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8834    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3271    0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7708    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7708    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3271    1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2145    0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3418    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3418    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2145    1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8979    0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8979   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4927   -0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0875   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0875    0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4927    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4395    1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2145   -0.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6355   -1.4574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3185   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5979   -0.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3271   -0.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7898    1.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5043    0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5979    0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8834    0.2446    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  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  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 
  1 17  1  0  0  0  0 
  7 18  2  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 14  1  0  0  0  0 
  3 22  1  0  0  0  0 
 16 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  2 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  26 
M  SMT   1 OCH3 
M  SBV   1 26   -4.7378    5.7727 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  28 
M  SMT   2 ^OCH3 
M  SBV   2 28   -5.7494    5.2801 
S  SKP  8 
ID	FLIAELNS0002 
KNApSAcK_ID	C00009864 
NAME	Dalpalatin 
CAS_RN	126595-77-5 
FORMULA	C18H14O8 
EXACTMASS	358.068867424 
AVERAGEMASS	358.29896 
SMILES	c(c4OC)(O)cc(c(c4O)3)OC=C(C3=O)c(c2)c(OC)cc(c21)OCO1 
M  END
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