Mol:FL3FA9CS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.2952    0.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2952   -0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8174   -0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8174    0.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300   -0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300    0.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737    0.7637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737   -1.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2611   -1.1631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8486   -0.4443    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3329   -1.0218    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8173   -0.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1161   -0.7949    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6111   -0.3412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -0.6093    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.5481   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3329   -1.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906    0.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0193    0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5481    0.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5481    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0193    1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6524    1.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1524    1.9273    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
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  1  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
  2 16  1  0  0  0  0
 18 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
  9 22  1  0  0  0  0
  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  28  29
M  SBL   1  1  31
M  SMT   1  OCH3
M  SVB   1 31   -0.6524    1.0613
S  SKP  8
ID	FL3FA9CS0003
KNApSAcK_ID	C00006416
NAME	Hoslunddiol
CAS_RN	135404-53-4
FORMULA	C22H22O7
EXACTMASS	398.136553058
AVERAGEMASS	398.40588
SMILES	O=C(c32)C=C(Oc(cc(OC)c([C@@H](C4)OC(C)[C@H](O)[C@H](O)4)c(O)3)2)c(c1)cccc1
M  END

</pre>