Mol:FLIAELNS0002

<pre>

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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