Mol:FL3FEAGS0052

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

FL3FEAGS0052.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.1987    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1987   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4842   -0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4842    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9447   -0.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9447    0.7920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    0.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026    1.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    2.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    1.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9447   -1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4842   -1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5489    2.0479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9183    0.7265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8857   -0.8421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2145    1.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6696    1.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2570    0.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4587    0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6652    0.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0778    1.1639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8761    0.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828    0.0196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2145    0.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6840    0.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0591    1.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5971    1.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164   -2.0479    0.0000 C   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
  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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 20  1  1  0  0  0  0
  2 21  1  0  0  0  0
 19 22  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 20 26  1  0  0  0  0
 18 34  1  0  0  0  0
S  SKP  8
ID	FL3FEAGS0052
KNApSAcK_ID	C00013639
NAME	Scutellarein 5,4'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-6-hydroxy-5-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	186466-61-5
FORMULA	C23H24O11
EXACTMASS	476.13186161
AVERAGEMASS	476.43006
SMILES	O(C)c(c(O)3)c(c2cc3OC(C(O)4)OC(CO)C(C4O)O)C(=O)C=C(O2)c(c1)ccc(OC)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox