Mol:FL7AACGL0026

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

FL7AACGL0026.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 38 41  0  0  0  0  0  0  0  0999 V2000
   -3.5915    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5915    0.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0352   -0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4789    0.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4789    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0352    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9226   -0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3663    0.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3663    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9226    1.0475    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8102    1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2432    0.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238    1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238    1.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2432    2.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8102    1.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1476    1.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8906    2.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0352   -0.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9502   -0.6367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5527   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2845   -1.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8003   -0.9776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3192   -1.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716   -0.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0545   -0.7940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133   -0.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9946   -0.6605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8688   -0.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2432    2.6840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4731   -1.5820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4731   -2.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9741   -2.5739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0686   -2.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611   -2.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1476   -2.6840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611   -1.6854    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
 15 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
S  SKP  8
ID	FL7AACGL0026
KNApSAcK_ID	C00006796
NAME	Cyanidin 3-(6''-malonylglucoside);Cyanidin-3-O-(6-O-malonyl-beta-D-glucopyranoside)
CAS_RN	94977-38-5
FORMULA	C24H23O14
EXACTMASS	535.108780444
AVERAGEMASS	535.43102
SMILES	O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c3)c([o+1]c(c32)cc(cc2O)O)c(c1)cc(c(c1)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox