Mol:FLIFWYNP0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.8963    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8963   -0.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400   -0.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837   -0.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2274   -0.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3289   -0.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3289    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2274    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850   -0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850   -1.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4798   -1.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0746   -1.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0746   -0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4798   -0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850    0.7332    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2274   -1.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400    1.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8963    1.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526    1.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526    0.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0260    1.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526    2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400   -1.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8738    1.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0746   -1.2381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0746   -1.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0624   -1.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7769   -2.1655    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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
  7 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 17  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  3 26  1  0  0  0  0
 17 27  1  0  0  0  0
 14 28  1  0  0  0  0
 28 29  1  0  0  0  0
 13 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  30  31
M  SBL   2  1  34
M  SMT   2  OCH3
M  SVB   2 34    1.0624    -1.753
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  28  29
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32    2.3116   -1.4444
S  SKP  8
ID	FLIFWYNP0001
KNApSAcK_ID	C00009986
NAME	6-Hydroxy-6a,12a-dehydro-alpha-toxicarol
CAS_RN	82799-75-5
FORMULA	C23H20O8
EXACTMASS	424.11581761599996
AVERAGEMASS	424.4001
SMILES	c(c5)(OC)c(cc(c54)OC(O)C(=C43)Oc(c2C(=O)3)c(c1cc(O)2)C=CC(O1)(C)C)OC
M  END

</pre>