Mol:FL3FE9GS0009

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

FL3FE9GS0009.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 37 40  0  0  0  0  0  0  0  0999 V2000
    0.9305   -0.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9305   -0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3816   -1.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   -0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   -0.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3816   -0.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -1.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -0.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -1.6048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1856   -0.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454   -0.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1051   -0.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1051    0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454    0.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1856    0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3816   -1.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4692   -0.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2622   -0.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7466   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041   -0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2876   -0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8082   -0.1470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4578   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9760   -0.6957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504   -1.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5786   -1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0955    0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0955    0.8718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795    1.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1099    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6195    1.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1051    0.8588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6195    1.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795    1.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4446   -1.2188    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
  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
 19  1  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 19  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 31 36  2  0  0  0  0
  2 37  1  0  0  0  0
S  SKP  8
ID	FL3FE9GS0009
KNApSAcK_ID	C00004481
NAME	5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside)
CAS_RN	-
FORMULA	C24H22O13
EXACTMASS	518.10604079
AVERAGEMASS	518.42368
SMILES	O=C(C=3)c(c(OC3c(c4)cccc4)2)c(c(O)c(c2)OC(O1)C(C(O)C(O)C1COC(=O)CC(O)=O)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox