Mol:FLIA1AGS0013

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FLIA1AGS0013.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 40 44  0  0  0  0  0  0  0  0999 V2000
   -0.5603    1.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0926    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8329    1.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730    0.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1081    0.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1081    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404    1.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0930    0.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8329   -0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404   -1.1898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8750   -1.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6088   -1.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3423   -1.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3423   -0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6088    0.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2333    1.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213    0.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9842    1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2158    1.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    1.6353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5428    1.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8022    1.2948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2904    0.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2959    0.6558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9886    1.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6508    1.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4019    2.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8898    1.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1525    1.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3843    1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9582    2.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7112    1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0359    1.8116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5923    1.3860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5623    1.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8833   -1.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0359   -2.1671    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22  1  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  1  0  0  0
 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 33 29  1  0  0  0  0
 39 40  1  0  0  0  0
 16 39  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  39  40
M  SBL   1  1  44
M  SMT   1  OCH3
M  SBV   1  44   -0.5410    0.3506
S  SKP  5
ID	FLIA1AGS0013
FORMULA	C27H30O13
EXACTMASS	562.168641046
AVERAGEMASS	562.5193
SMILES	C(C(C(O)5)OC(C(O)C5O)Oc(c4)cc(c(c4)2)OC=C(c(c3)ccc(OC)c3)C2=O)OC(O1)C(O)C(C(O)C1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox