Mol:FL5FFCGS0024

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

FL5FFCGS0024.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
    1.7861    1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    3.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    2.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    2.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    2.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    2.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150    2.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -0.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150    3.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    4.1325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    2.7660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767    3.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2540   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6666   -1.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1268   -1.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9251   -1.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3379   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5443   -0.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9178   -1.9812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3981   -1.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1437   -1.2350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2367   -3.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4396   -3.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0230   -3.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984   -2.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987   -2.4669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153   -3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0018   -3.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9689   -4.0992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5557   -4.1325    0.0000 O   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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 28 27  1  1  0  0  0
 29 28  1  1  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 27 32  1  0  0  0  0
 26 33  1  0  0  0  0
 25 34  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  1  0  0  0
 38 37  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
 37 41  1  0  0  0  0
 36 42  1  0  0  0  0
 35 43  1  0  0  0  0
 38 31  1  0  0  0  0
 29 19  1  0  0  0  0
S  SKP  5
ID	FL5FFCGS0024
FORMULA	C27H30O16
EXACTMASS	610.153384912
AVERAGEMASS	610.5175
SMILES	O(C(OC(C2OC(C(=O)4)=C(Oc(c5OC)c4c(O)cc5O)c(c3)ccc(c3O)O)C(O)C(C(C)O2)O)1)CC(C(O)C1O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox