Mol:FL7AAGGO0006

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL7AAGGO0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 48  0  0  0  0  0  0  0  0999 V2000 
   -2.2460   -2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6355   -2.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6355   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2460   -1.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8564   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8564   -2.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0251   -2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4146   -2.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4146   -1.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0251   -1.3752    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    0.1669   -1.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7504   -1.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3340   -1.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3340   -0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7504   -0.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1669   -0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7488    0.2181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8158   -0.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3558   -1.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2460   -3.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1566   -2.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7782   -1.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1290    1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1904    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7183    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4956    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4342    2.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9063    1.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8521    2.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3558    2.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1767    2.8703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6568    2.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6170    1.2181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0392    1.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2947    0.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2521    1.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0922    2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2521    2.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9407    2.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2850    2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9407    1.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1879    3.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4057    3.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8122    2.3190    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 
  2  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  3  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 
 15 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 17 24  1  0  0  0  0 
 26 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 27 31  1  0  0  0  0 
 28 32  1  0  0  0  0 
 23 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  2  0  0  0  0 
 34 36  1  0  0  0  0 
 36 37  2  0  0  0  0 
 37 38  1  0  0  0  0 
 38 39  2  0  0  0  0 
 39 40  1  0  0  0  0 
 40 41  2  0  0  0  0 
 41 36  1  0  0  0  0 
 38 42  1  0  0  0  0 
 39 43  1  0  0  0  0 
 40 44  1  0  0  0  0 
S  SKP  8 
ID	FL7AAGGS0006 
KNApSAcK_ID	C00011072 
NAME	Delphinidin 3'-O-(2''-O-galloyl-beta-galactopyranoside) 
CAS_RN	740786-46-3 
FORMULA	C28H25O16 
EXACTMASS	617.114259752 
AVERAGEMASS	617.4885 
SMILES	c(c3)(c([o+1]4)c(cc(c5O)c4cc(c5)O)O)cc(c(O)c3O)OC(O2)C(C(C(O)C2CO)O)OC(c(c1)cc(O)c(O)c(O)1)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox