Mol:FL5FFAGS0020

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

FL5FFAGS0020.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 45 49  0  0  0  0  0  0  0  0999 V2000
   -0.3513   -1.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513   -1.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7613   -1.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7613   -1.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -0.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3176   -1.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -1.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -1.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3176   -0.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3176   -2.4664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5639   -0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5639   -0.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970    0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -0.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -2.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3576    0.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8463   -0.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877   -1.9987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8613   -0.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4901   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9556   -1.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398   -1.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8146   -0.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2822   -1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3751   -1.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0687   -1.4406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6493   -1.7187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6410   -0.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6410    0.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2917    0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7178    1.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7178    1.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2724    2.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8271    1.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8271    1.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2724    0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1921    0.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3576    2.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2724    2.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0721    1.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7487    0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -0.2346    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 15  1  0  0  0  0
 20  1  1  0  0  0  0
 21  8  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
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 20  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 38 40  1  1  0  0  0
 37 41  1  6  0  0  0
 36 42  1  6  0  0  0
 34 43  1  6  0  0  0
 33 44  2  0  0  0  0
  6 45  1  0  0  0  0
S  SKP  8
ID	FL5FFAGS0020
KNApSAcK_ID	C00005938
NAME	Herbacetin 7-(6''-quinoylglucoside)
CAS_RN	95262-52-5
FORMULA	C28H30O17
EXACTMASS	638.148299534
AVERAGEMASS	638.5276
SMILES	C(O)(C1O)CC(O)(C(=O)OCC(C5O)OC(C(C5O)O)Oc(c(O)2)cc(c(C4=O)c2OC(=C4O)c(c3)ccc(c3)O)O)CC(O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox