Mol:FL7AAAGL0015

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

FL7AAAGL0015.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -3.1280    1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1280    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5717    0.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0154    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0154    1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5717    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4591    0.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9028    0.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9028    1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4591    1.3766    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3467    1.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2203    1.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7873    1.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7873    2.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2203    2.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3467    2.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6841    1.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541    2.3584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5717   -0.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4867   -0.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0162   -0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7480   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2638   -0.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7827   -0.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0510   -0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351   -0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180   -0.4649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6768    0.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4581   -0.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323   -0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5305   -1.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1055   -1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841   -1.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1055   -2.3585    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 21 22  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 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 22 20  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
S  SKP  8
ID	FL7AAAGL0015
KNApSAcK_ID	C00006754
NAME	Pelargonidin 3-(6''-acetylglucoside)
CAS_RN	138590-96-2
FORMULA	C23H23O11
EXACTMASS	475.124036578
AVERAGEMASS	475.42212
SMILES	c(c4)(ccc(c4)c([o+1]1)c(OC(O3)C(O)C(C(C(COC(C)=O)3)O)O)cc(c(O)2)c1cc(O)c2)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox