Mol:FL5FEGNS0016

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

FL5FEGNS0016.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 32  0  0  0  0  0  0  0  0999 V2000
   -1.3370   -1.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9769   -1.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483   -1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8799   -2.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -2.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685   -1.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1514   -2.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829   -3.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1431   -3.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8716   -2.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6504   -2.8573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747   -3.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0515   -4.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -4.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0237   -4.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2530   -4.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1225   -3.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8880   -1.7613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5499   -5.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1235   -6.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516   -4.5212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7839   -4.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235   -0.4193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517   -0.6573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0674   -0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2055   -4.2462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281   -5.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0985   -5.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5211   -6.7521    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  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
 15 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
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 27  1  0  0  0  0
 27 28  1  0  0  0  0
 14 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  29  30
M  SBL   6  1  31
M  SMT   6  OCH3
M  SVB   6 31    1.8838    -0.022
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  27  28
M  SBL   5  1  29
M  SMT   5  OCH3
M  SVB   5 29     0.183   -0.9854
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  25  26
M  SBL   4  1  27
M  SMT   4  OCH3
M  SVB   4 27   -2.5983     0.482
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25   -2.9555   -0.6877
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23    1.3907    1.7424
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21     2.241    1.1662
S  SKP  8
ID	FL5FEGNS0016
KNApSAcK_ID	C00004836
NAME	5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone;5-Hydroxy-3,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-Benzopyran-4-one
CAS_RN	17245-31-7
FORMULA	C21H22O9
EXACTMASS	418.126382302
AVERAGEMASS	418.39398
SMILES	c(c3OC)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(OC)c2OC)OC)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox