Mol:FL5FACGS0029

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

FL5FACGS0029.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
   -3.2183    0.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2183    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6620   -0.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1057    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1057    0.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6620    1.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494   -0.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    0.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494    1.1832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494   -0.6023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744    2.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6620   -0.7436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4482    2.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7132    1.1832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4298   -0.1898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744    2.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2104   -1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8387   -1.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6393   -1.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8387   -0.4534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2104   -0.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4097   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1801   -0.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3718   -2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6871   -2.4183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2596   -1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7767   -2.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759   -2.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544   -2.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6364   -2.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -2.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587   -2.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180   -2.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5969   -1.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7132   -2.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9893   -2.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038   -2.9434    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  1  1  0  0  0  0
 21  8  1  0  0  0  0
  4  3  1  0  0  0  0
 16 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
 28 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 31  1  0  0  0  0
 25 32  1  0  0  0  0
 27 21  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  1  0  0  0
 35 36  1  1  0  0  0
 37 36  1  1  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 33 39  1  0  0  0  0
 38 40  1  0  0  0  0
 37 41  1  0  0  0  0
 31 34  1  0  0  0  0
 36 42  1  0  0  0  0
 42 43  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  46
M  SMT   1 CH2OH
M  SBV   1 46   -8.3474    6.2100
S  SKP  8
ID	FL5FACGS0029
KNApSAcK_ID	C00005418
NAME	Quercetin 3-glucosyl-(1->4)-rhamnoside
CAS_RN	59262-54-3
FORMULA	C27H30O16
EXACTMASS	610.153384912
AVERAGEMASS	610.5175
SMILES	C(=C3OC(C(O)5)OC(C)C(C5O)OC(O4)C(O)C(O)C(C4CO)O)(Oc(c2)c(C3=O)c(O)cc2O)c(c1)ccc(O)c1O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox