Mol:FL4D29NS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  0  0  0  0  0  0  0  0999 V2000 
   -1.4791   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9582   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4373   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4373    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9582    0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4791    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0836   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6045   -0.5014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.6045    0.1001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.0836    0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1248    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0836   -1.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6592    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1935    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1935    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6592    1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1248    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9995    0.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0358   -0.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1935   -0.3893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1814   -0.2343    0.0000 C   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 
  3  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  4  1  0  0  0  0 
  9 11  1  6  0  0  0 
  7 12  2  0  0  0  0 
 11 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
  6 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -2.1935   -0.3893 
S  SKP  8 
ID	FL4D29NS0001 
KNApSAcK_ID	C00008551 
NAME	3,7-Dihydroxy-6-methoxyflavanone 
CAS_RN	34050-66-3 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c(O)3)cc(C(=O)1)c(c3)O[C@H](c(c2)cccc2)[C@@H](O)1 
M  END