Mol:FLII1LNI0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.5527    0.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5527   -0.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964   -0.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4401   -0.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4401    0.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964    0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8838   -0.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3275   -0.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8820   -1.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1088    0.9303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054   -1.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054   -0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964   -0.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3821   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9585    0.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    0.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    1.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1088    0.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.5577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5393    1.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2481   -1.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1142   -2.0200    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  2  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 10  1  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  9  1  0  0  0  0
  3 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27    1.6012   -1.2264
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25    1.0936    0.5577
S  SKP  8
ID	FLII1LNI0002
KNApSAcK_ID	C00010077
NAME	Gancaonin I
CAS_RN	126716-36-7
FORMULA	C21H22O5
EXACTMASS	354.146723814
AVERAGEMASS	354.39638
SMILES	COc(c(CC=C(C)C)3)cc(o1)c(c3OC)cc(c(c2)c(O)cc(O)c2)1
M  END

</pre>