Mol:FLIFHXNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.2825    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.3371    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0573    0.9795    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6136    1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136   -0.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1206    0.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573   -0.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883   -0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    1.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762   -1.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907   -1.5982    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  1  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
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  8 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  28
M  SMT   3  OCH3
M  SVB   3 28    0.6762   -1.1857
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -2.6398    1.5982
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    1.9253    -0.877
S  SKP  8
ID	FLIFHXNS0001
KNApSAcK_ID	C00009580
NAME	12a-Hydroxymunduserone
CAS_RN	66280-24-8
FORMULA	C19H18O7
EXACTMASS	358.10525293
AVERAGEMASS	358.34202000000005
SMILES	c(c4OC)(OC)cc(c(c4)1)OCC(O3)C(C(c(c32)ccc(OC)c2)=O)1O
M  END

</pre>