Mol:FL6F1CNM0002

From Metabolomics.JP
Jump to: navigation, search

FL6F1CNM0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -0.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.4578    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.2941   -0.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    0.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191   -0.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9523    0.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.4214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1101    2.3187    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  1  2  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 
  1 17  1  0  0  0  0 
  6 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 15 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    1.6687    1.4214 
S  SKP  8 
ID	FL6F1CNM0002 
KNApSAcK_ID	C00008779 
NAME	7,4'-Dihydroxy-3'-methoxy-8-methylflavan 
CAS_RN	84638-51-7 
FORMULA	C17H18O4 
EXACTMASS	286.120509064 
AVERAGEMASS	286.32241999999997 
SMILES	COc(c(O)3)cc(cc3)[C@H](C1)Oc(c(C)2)c(ccc(O)2)C1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox