Mol:FLIAAANP0013

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 35  0  0  0  0  0  0  0  0999 V2000
   -2.3261    0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261   -0.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7698   -0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135    0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7698    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6572   -0.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1009   -0.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1009    0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6572    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -1.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -1.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447   -1.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447   -0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8822    0.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6572   -1.3676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7698    1.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3259    1.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2395   -1.7523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8343   -1.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8343   -0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2395   -0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8822    1.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8822    1.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4885    1.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7698   -1.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8343   -2.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4885   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759    2.1353    0.0000 O   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
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 15  1  0  0  0  0
 20 25  1  0  0  0  0
 25 17  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  3 28  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  0  0  0  0
 26 31  1  0  0  0  0
S  SKP  8
ID	FLIAAANP0013
KNApSAcK_ID	C00009938
NAME	Ulexone D
CAS_RN	128988-23-8
FORMULA	C25H22O6
EXACTMASS	418.141638436
AVERAGEMASS	418.43858
SMILES	c(c2C(=C3)C(=O)c(c(O)4)c(c(C=5)c(OC(C)(CO)C5)c4)O3)c(C=1)c(cc2)OC(C1)(C)C
M  END

</pre>