Mol:FL4DCANS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.1973    0.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4847    0.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1941   -0.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4774   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7647   -0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7684    0.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0484   -0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6642   -0.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6605    0.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0557    0.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3143    0.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0304    0.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7432    0.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7401    1.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0240    2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3111    1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0474   -1.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4774   -1.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7897    0.7664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3892    2.0231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4895   -0.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2040   -2.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4895   -1.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7750   -2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3892    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  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  2  1  0  0  0  0 
  5  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  6  1  0  0  0  0 
  9 11  1  6  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 
  7 17  2  0  0  0  0 
  4 18  1  0  0  0  0 
  8 21  1  6  0  0  0 
  1 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 21 23  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 19 25  1  0  0  0  0 
S  SKP  8 
ID	FL4DCANS0003 
KNApSAcK_ID	C00014376 
NAME	(2R,3S)-5,4'-Dihydroxy-7-methoxy-3-O-acetylflavanone 
CAS_RN	140614-82-0 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c21)(O)cc(OC)cc(OC(c(c3)ccc(O)c3)C(C2=O)OC(C)=O)1 
M  END