Mol:FL7AAAGO0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.2330    0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2330   -0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6766   -0.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1203   -0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1203    0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6766    0.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4360   -0.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9923   -0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9923    0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4360    0.9561    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    1.5484    0.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1153    0.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6823    0.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6823    1.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1153    1.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5484    1.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7890    0.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2491    1.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6766   -0.9707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4084   -0.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0417   -1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6705   -1.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1360   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5250   -1.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9950   -1.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4626   -1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8550   -0.4452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2491   -1.6599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8297   -1.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2359   -0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5214   -1.1594    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  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 19  1  0  0  0  0 
 26 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 CH2OH 
M  SBV   1 33   -6.1996    5.9633 
S  SKP  8 
ID	FL7AAAGS0005 
KNApSAcK_ID	C00006790 
NAME	Pelargonidin 5-galactoside 
CAS_RN	157526-28-8 
FORMULA	C21H21O10 
EXACTMASS	433.113471892 
AVERAGEMASS	433.38544 
SMILES	C(C1Oc(c4)c(c(cc(O)4)3)cc(c([o+1]3)c(c2)ccc(O)c2)O)(O)C(O)C(O)C(O1)CO 
M  END