Mol:PR100439

From Metabolomics.JP
Jump to: navigation, search

PR100439.png

 
  ACD/Labs08070915152D 
 
 31 34  0  0  1  0  0  0  0  0  2 V2000 
   21.6428  -10.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.8101   -9.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.8101   -8.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.6428   -8.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.4754   -8.6768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.4754   -9.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.6633   -7.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.9775   -8.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.0109   -5.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.0109   -6.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8435   -6.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.6762   -6.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.6762   -5.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8435   -4.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.5088   -6.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.3414   -6.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.3414   -5.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.5088   -4.8339    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
   21.1741   -4.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.0067   -5.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.8393   -4.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.8393   -3.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.0067   -3.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.1741   -3.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8435   -7.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.9426   -4.8139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.6428  -11.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   23.7977   -3.4569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.9775  -10.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   23.3080  -10.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.6720   -5.3147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  1  0  0  0  0 
  3  8  1  1  0  0  0 
  9 10  2  0  0  0  0 
 10 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  9  1  0  0  0  0 
 12 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 
 17 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 19  1  0  0  0  0 
 11 25  1  0  0  0  0 
  9 26  1  0  0  0  0 
  1 27  1  6  0  0  0 
 22 28  1  0  0  0  0 
  7 16  1  0  0  0  0 
  2 29  1  1  0  0  0 
  6 30  1  1  0  0  0 
  4  7  1  6  0  0  0 
 21 31  1  0  0  0  0 
M  CHG  1  18   1 
S  SKP  7 
CAS_RN	768299-10-1 
NAME	cyanidin-3-O-rhamnoside 
ID	PR100439 
FORMULA	C21H21O10 
EXACTMASS	433.113471892 
AVERAGEMASS	433.38544 
SMILES	Oc(c4)c(O)cc(c4)c([o+1]1)c(OC(O3)C(O)C(O)C(O)C(C)3)cc(c(O)2)c(cc(O)c2)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox