Mol:FL1A3CGS0004

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL1A3CGS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 38 41  0  0  0  0  0  0  0  0999 V2000 
    0.5640   -1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5640   -0.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0447   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4745   -0.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4745   -1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0447   -1.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1342   -1.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4866   -0.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1342   -0.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9937   -0.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9283   -0.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8122   -0.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1125   -1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7130   -1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0133   -0.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7130   -0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1125   -0.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6128   -0.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2785   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0128    0.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1532   -0.1464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.7821   -0.6364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.2476   -0.4285    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.7318   -0.4229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.1066   -0.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5742   -0.2949    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.7442   -0.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9048   -1.2024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9413   -0.9426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2336    0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0447    0.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2930    0.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5580    1.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2809    1.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1598    1.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3079   -0.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5302    0.4316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6321   -0.5082    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 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  2  1  0  0  0  0 
  4 10  1  0  0  0  0 
  8 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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 15 18  1  0  0  0  0 
  7 19  2  0  0  0  0 
 16 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  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 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 24 10  1  0  0  0  0 
  3 31  1  0  0  0  0 
 30 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 33 35  2  0  0  0  0 
 27 36  1  0  0  0  0 
 36 37  2  0  0  0  0 
 36 38  1  0  0  0  0 
S  SKP  8 
ID	FL1A3CGS0004 
KNApSAcK_ID	C00008053 
NAME	6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside) 
CAS_RN	- 
FORMULA	C25H24O13 
EXACTMASS	532.121690854 
AVERAGEMASS	532.45026 
SMILES	CC(=O)O[C@H]([C@@H]4O)C(COC(C)=O)O[C@H]([C@H]4O)Oc(c(O)1)ccc(c(=O)2)c(oc2=Cc(c3)cc(c(O)c3)O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox