Mol:FL2FAANI0019

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.4453   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4431   -1.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7261   -1.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0146   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7299   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2964   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4145   -1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4126   -0.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3002    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1271    0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8398   -0.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5542    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5541    0.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8396    1.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1252    0.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2964   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1598   -0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4448    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4448    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7299    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1593    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7304    2.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7261   -2.3503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1598    1.1813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0637   -1.5966    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 
  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  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 
  1 18  1  0  0  0  0 
  6 21  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
 19 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
 14 25  1  0  0  0  0 
  2 26  1  0  0  0  0 
S  SKP  8 
ID	FL2FAANI0019 
KNApSAcK_ID	C00014157 
NAME	5,7,4'-Trihydroxy-6-methyl-8-prenylflavanone 
CAS_RN	261776-60-7 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	c(c12)(C(=O)CC(c(c3)ccc(O)c3)O2)c(c(c(O)c1CC=C(C)C)C)O 
M  END