Mol:FL5FAAGS0114

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

FL5FAAGS0114.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 56 61  0  0  0  0  0  0  0  0999 V2000
    0.6794    4.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794    3.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939    3.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1084    3.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1084    4.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939    4.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0350    3.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7495    3.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640    3.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7495    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0350    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1785    3.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8929    3.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8929    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1785    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7495    1.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6074    3.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5713    1.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091    4.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1785    1.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041   -0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2049   -0.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2036    0.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9204    0.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1211    0.9606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875    0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8159    0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493    0.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9965   -0.8479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037   -0.5091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411   -0.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235   -2.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3514   -2.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8670   -1.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099   -1.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8819   -1.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664   -1.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948   -1.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4416   -1.6272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6126   -2.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1672   -2.9039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342   -2.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8292   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1630   -3.3316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519   -4.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2769   -4.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6894   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2769   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519   -2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3028   -3.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676   -4.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6126   -4.6822    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
  5 20  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 19  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 33 41  1  0  0  0  0
 34 42  1  0  0  0  0
 35 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 48  1  0  0  0  0
 51 54  1  0  0  0  0
 36 30  1  0  0  0  0
 50 55  1  0  0  0  0
 55 56  1  0  0  0  0
S  SKP  8
ID	FL5FAAGS0114
KNApSAcK_ID	C00013781
NAME	Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside);5,7-Dihydroxy-3-[[4-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	352284-18-5
FORMULA	C37H38O19
EXACTMASS	786.200729034
AVERAGEMASS	786.68622
SMILES	C(O1)(CO)C(OC(C(OC(=O)C=Cc(c6)ccc(O)c(OC)6)5)OC(C(C5O)O)CO)C(O)C(O)C1OC(C3=O)=C(c(c4)ccc(O)c4)Oc(c32)cc(O)cc(O)2
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox