Mol:FL5FDCNP0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 31  0  0  0  0  0  0  0  0999 V2000 
   -1.3941   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3941   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8378   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2815   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2815   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8378    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2748   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8311   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8311   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2748    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2748   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3872    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9542   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5211    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5211    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9542    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3872    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0879    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9504    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5067   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5067   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9504   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9542    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9424    0.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0879   -0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8378   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6971   -1.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5632   -1.8182    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 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 12  1  0  0  0  0 
 15 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22  2  1  0  0  0  0 
 16 23  1  0  0  0  0 
 20 24  1  0  0  0  0 
 20 25  1  0  0  0  0 
  3 26  1  0  0  0  0 
  8 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  30 
M  SMT   1  OCH3 
M  SVB   1 30    1.0299   -1.0246 
S  SKP  8 
ID	FL5FDCNP0001 
KNApSAcK_ID	C00005080 
NAME	Sarothranol;8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one 
CAS_RN	149415-60-1 
FORMULA	C21H18O7 
EXACTMASS	382.10525293 
AVERAGEMASS	382.36342 
SMILES	COC(C4=O)=C(Oc(c42)cc(O3)c(C=CC(C)(C)3)c2O)c(c1)cc(c(O)c1)O 
M  END