Mol:FL5FFAGS0011

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

FL5FFAGS0011.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
    0.0217   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0217   -1.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362   -1.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4508   -1.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4508   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362    0.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653   -1.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798   -1.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653    0.1436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653   -2.3501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796    0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -0.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2360    0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2360    1.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077    1.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796    1.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362   -2.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8025    1.4703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341   -1.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6419    0.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362    0.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024    0.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278   -0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6419    0.7162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278    1.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024    1.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8884    1.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7532    2.3501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6588    1.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6915    0.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1439    1.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6671    1.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9806    1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3182    1.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7996    1.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4002    1.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8025    1.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3472    1.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003    0.9263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0550    2.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0314    1.8314    0.0000 O   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
  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
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20  8  1  0  0  0  0
  4  3  1  0  0  0  0
  1 21  1  0  0  0  0
  6 22  1  0  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 23  1  1  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 28 31  1  0  0  0  0
 23 32  1  0  0  0  0
 24 21  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 33 39  1  0  0  0  0
 34 40  1  0  0  0  0
 35 41  1  0  0  0  0
 36 31  1  0  0  0  0
 42 43  1  0  0  0  0
 38 42  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  42  43
M  SBL   1  1  47
M  SMT   1 ^CH2OH
M  SBV   1  47    0.6547   -0.5934
S  SKP  5
ID	FL5FFAGS0011
FORMULA	C27H30O16
EXACTMASS	610.153384912
AVERAGEMASS	610.5175
SMILES	C(C4O)(C)OC(C(C4OC(O5)C(O)C(O)C(O)C5CO)O)Oc(c3)c(O)c(c1c3O)OC(c(c2)ccc(O)c2)=C(C1=O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox