Mol:FL3FADCS0023

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

FL3FADCS0023.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 44 48  0  0  0  0  0  0  0  0999 V2000
   -0.0085   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230   -0.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375   -1.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230   -2.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0085   -1.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1519   -0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664   -1.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1519   -2.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5121   -0.4423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1519   -2.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230   -2.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877   -0.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2022   -0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2022    0.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877    0.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732    0.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8174    0.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8564   -0.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5121   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3019    2.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9086    1.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5294    1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5766    0.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9698    0.8697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3490    1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8119    1.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4939    2.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8794    2.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9086    2.4582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1914    1.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1962    0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4979    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3660    2.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273    1.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7257    1.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2889    0.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5076    0.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -0.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4007    0.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1578    1.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  2  0  0  0  0
  1 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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
  7 26  1  0  0  0  0
 34 35  1  1  0  0  0
 35 36  1  1  0  0  0
 37 36  1  1  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 34 42  1  0  0  0  0
 35 43  1  0  0  0  0
 36 44  1  0  0  0  0
 37 30  1  0  0  0  0
S  SKP  8
ID	FL3FADCS0023
KNApSAcK_ID	C00014068
NAME	Scoparin 6''-O-glucoside
CAS_RN	605652-87-7
FORMULA	C28H32O16
EXACTMASS	624.1690349759999
AVERAGEMASS	624.54408
SMILES	OC(C1c(c34)c(cc(c3C(=O)C=C(c(c5)ccc(c5OC)O)O4)O)O)C(C(O)C(COC(O2)C(O)C(C(O)C(CO)2)O)O1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox