Mol:FLIA1AGS0003

From Metabolomics.JP
Jump to: navigation, search

FLIA1AGS0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -1.0860    0.2847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5297   -0.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0266    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5827   -0.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5827   -0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1594   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7362   -0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7362   -0.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1594    0.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5295   -0.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0266   -0.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1594   -1.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3125   -1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3125   -1.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8638   -1.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4152   -1.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4152   -1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8638   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9665   -1.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2030    0.2229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.8318   -0.2671    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.2973   -0.0592    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.7815   -0.0537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.1563    0.3212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6239    0.0744    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.7939    0.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1821   -0.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9910   -0.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2832    0.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8591    1.4082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4926    1.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6076    2.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8571    1.8760    0.0000 C   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  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11  5  1  0  0  0  0 
  6 12  2  0  0  0  0 
  7 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 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  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 
 25 29  1  0  0  0  0 
  1 23  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
S  SKP  8 
ID	FLIA1AGS0003 
KNApSAcK_ID	C00010078 
NAME	Daidzein 6''-O-acetate;6''-O-Acetyldaidzin 
CAS_RN	71385-83-6 
FORMULA	C23H22O10 
EXACTMASS	458.121296924 
AVERAGEMASS	458.41478000000006 
SMILES	O[C@@H]([C@H]1O)[C@H](Oc(c4)ccc(c43)C(=O)C(=CO3)c(c2)ccc(c2)O)OC(COC(C)=O)[C@@H]1O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox