Mol:FLID1LNS0002

Revision as of 09:00, 7 October 2008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.1830    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    0.1647    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    0.4859    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7393    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539   -1.0220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4902    1.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047    0.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7757   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4902   -1.4494    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
  1  2  1  0  0  0  0
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    0.7757   -1.0369
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    1.4902    1.0922
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22    2.0248   -0.7282
S  SKP  8
ID	FLID1LNS0002
KNApSAcK_ID	C00009631
NAME	9-O-Methylphilenopteran;3-Hydroxy-7,9,10-trimethoxypterocarpan
CAS_RN	22356-05-4
FORMULA	C18H18O6
EXACTMASS	330.110338308
AVERAGEMASS	330.33191999999997
SMILES	c(c1OC)(OC)cc(c(C24)c(OC(c(c3OC4)ccc(O)c3)2)1)OC
M  END

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