Mol:FL2FBBNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.2003   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6794   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1585   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1585    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6794    0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2003    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6376   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1168   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1168    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6376    0.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6376   -1.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380    0.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7212    0.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1337   -0.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192   -1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0067    1.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7212    0.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1 OCH3
M  SBV   1 21   -5.5231    4.7723
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2 OCH3
M  SBV   2 23   -4.5344    5.2311
S  SKP  8
ID	FL2FBBNS0001
KNApSAcK_ID	C00008436
NAME	Tsugafolin
CAS_RN	66568-97-6
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c3)ccc(c3)C(C2)Oc(c1)c(C(=O)2)c(OC)cc(O)1
M  END

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