Mol:FL3FADNP0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -1.4289   -0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    1.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579   -0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -0.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -0.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    1.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    1.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    1.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    1.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289    2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    1.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -1.3340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5724    1.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    2.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    0.7285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5724    1.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5724   -0.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5724   -1.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579   -1.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -1.3340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3276   -2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3882   -2.3785    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 
  1  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  2  1  0  0  0  0 
  9 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 
  4 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  5 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25  6  1  0  0  0  0 
 24 26  1  0  0  0  0 
 24 27  1  0  0  0  0 
S  SKP  8 
ID	FL3FADNP0002 
KNApSAcK_ID	C00013437 
NAME	Ciliatin B;3,4-Dihydro-5-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one 
CAS_RN	539826-42-1 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	c(c1)(C(=C4)Oc(c3C(=O)4)cc(O)c(c32)CCC(C)(C)O2)cc(c(O)c1)OC 
M  END