Mol:FL63ACNC0005

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

FL63ACNC0005.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.4428    1.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936    1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920    1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411    0.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2097    0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2097    1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411    1.3713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8423    1.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770    1.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9769    2.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    2.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8423    2.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5438    1.3709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4428    0.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438    2.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3341   -1.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4428   -0.5360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    3.1730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8914   -1.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8914   -2.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3341   -2.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2232   -2.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2232   -1.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4478   -1.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7796   -1.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3341   -3.1730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7598    0.0996    0.0000 O   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
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  6  0  0  0
 10 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 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  2  0  0  0  0
 17  4  1  0  0  0  0
 13 18  1  0  0  0  0
  6 19  1  1  0  0  0
 17 20  1  0  0  0  0
 14 21  1  0  0  0  0
 19 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 19  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  1  0  0  0  0
  7 30  1  6  0  0  0
S  SKP  8
ID	FL63ACNC0005
KNApSAcK_ID	C00009321
NAME	Prodelphinidin B6
CAS_RN	61541-02-4
FORMULA	C21H18O9
EXACTMASS	414.095082174
AVERAGEMASS	414.36222
SMILES	c(C(c43)C(O)C(Oc3cc(O)cc4O)c(c2)cc(c(O)c2)O)(c1O)c(cc(c1)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox