Mol:FL63AAGS0005

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

FL63AAGS0005.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.9540    0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9540    0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4360   -0.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180    0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180    0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4360    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -0.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180    0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180    0.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806    1.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583    2.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    1.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1805    2.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4720    1.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360   -0.0669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4360   -0.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5779   -1.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1133   -1.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9434   -0.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1133   -0.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5779   -0.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7477   -0.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -0.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7154   -1.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9841   -2.0340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4720   -1.2627    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  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
 17 14  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  1  0  0  0
  3 20  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 21  1  1  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 25 19  1  0  0  0  0
S  SKP  8
ID	FL63AAGS0005
KNApSAcK_ID	C00008834
NAME	Afzelechin 3-O-alpha-L-rhamnopyranoside
CAS_RN	142741-31-9
FORMULA	C21H24O9
EXACTMASS	420.14203236599997
AVERAGEMASS	420.40986
SMILES	c(c4)c(ccc(O)4)C(C(OC(O3)C(O)C(O)C(O)C(C)3)1)Oc(c2)c(c(cc(O)2)O)C1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox