Mol:FLNA2CNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.1438    1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5875    1.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0314    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0314    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5454    0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1221    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1221    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5454    1.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1436    0.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5875    0.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5454   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0076   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0076   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5454   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0983   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0983   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6984    1.7801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6984    0.4848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6508   -1.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1071   -1.6535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8216   -2.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5010    2.0660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0009    2.9321    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  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  5 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 
  7 17  2  0  0  0  0 
  9 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    -1.501     2.066 
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    0.1071   -1.6535 
S  SKP  8 
ID	FLNA2CNS0001 
KNApSAcK_ID	C00010202 
NAME	Melannein;6,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin 
CAS_RN	10386-55-7 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c3)c(O)cc(c3)C(=C2)c(c1)c(OC(=O)2)cc(OC)c(O)1 
M  END