Mol:FL63ACCS0002

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

FL63ACCS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -2.0227   -0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0227   -1.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664   -1.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9101   -1.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9101   -0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664   -0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3538   -1.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2025   -1.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2025   -0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3538   -0.5846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5788   -0.5847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664   -2.5114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8205   -0.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067   -0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9929   -0.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9929    0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067    0.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8205    0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788    0.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1179    1.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7234    1.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4665    0.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9963    0.4556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3014    1.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5579    2.5114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    2.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020    0.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067    1.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7384   -1.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7957    1.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0812    0.9130    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  9 13  1  6  0  0  0
 16 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
  6 23  1  0  0  0  0
 17 29  1  0  0  0  0
  8 30  1  6  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1 CH2OH
M  SBV   1 34   -7.1641    5.6974
S  SKP  8
ID	FL63ACCS0002
KNApSAcK_ID	C00006357
NAME	8-C-Glucopyranosylepicatechin
CAS_RN	103215-48-1
FORMULA	C21H24O11
EXACTMASS	452.13186161
AVERAGEMASS	452.40866
SMILES	C(C(O)1)(c(c2O)c(O3)c(CC(O)C(c(c4)cc(c(O)c4)O)3)c(O)c2)OC(CO)C(O)C1O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox