Mol:FL4DAGNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.7719   -0.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7719   -0.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2714   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7710   -0.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7710   -0.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2714    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2705   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2299   -0.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2299   -0.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2705    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7301    0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2444   -0.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7588    0.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7588    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2444    1.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7301    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2299    0.5167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2720    0.1248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2720    1.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2714   -1.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8694   -0.7418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7076   -1.2195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2705   -1.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2444    1.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2720   -0.1715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  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 
  9 17  1  1  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
  8 21  1  1  0  0  0 
  8 22  1  6  0  0  0 
  7 23  2  0  0  0  0 
 15 24  1  0  0  0  0 
 13 25  1  0  0  0  0 
S  SKP  8 
ID	FL4DAGNS0001 
KNApSAcK_ID	C00000938 
NAME	Ampelopsin;(2R,3R)-3,5,7,3',4',5'-Hexahydroxyflavanone 
CAS_RN	27200-12-0 
FORMULA	C15H12O8 
EXACTMASS	320.05321735999996 
AVERAGEMASS	320.25098 
SMILES	Oc(c3)cc(O1)c(c(O)3)C(=O)C([H])(O)C([H])1c(c2)cc(O)c(O)c(O)2 
M  END