Mol:FL1C3CGS0026

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

FL1C3CGS0026.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 36  0  0  0  0  0  0  0  0999 V2000
   -0.9373   -0.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373   -1.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228   -1.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228    0.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2061   -1.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206   -1.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206   -0.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6351    0.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3496   -0.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    0.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    0.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3496    1.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6351    0.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2061   -2.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3097    0.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8316   -0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0565   -0.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2452   -0.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7232    0.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4984    0.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7098    0.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7453   -0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3027   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1670   -0.8148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228   -2.2994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6053    0.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7453    1.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6748   -1.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3496    2.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3429    1.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6748   -2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0214    2.4132    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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  1  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
  3 27  1  0  0  0  0
  1 28  1  0  0  0  0
 13 29  1  0  0  0  0
  2 30  1  0  0  0  0
 14 31  1  0  0  0  0
 20 28  1  0  0  0  0
 32 23  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
S  SKP  8
ID	FL1C3CGS0026
KNApSAcK_ID	C00014514
NAME	2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside
CAS_RN	207906-26-1
FORMULA	C23H26O11
EXACTMASS	478.147511674
AVERAGEMASS	478.44594
SMILES	OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)cc(c(c3)O)OC)c(O)2)OC(CO)C1O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox