Mol:FLID1ANF0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 30  0  0  0  0  0  0  0  0999 V2000 
   -1.7883    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7883    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2320    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6757    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6757    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2320    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1194    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4369    1.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4369    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1194    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9930    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9930    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5878   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1826    0.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1826    0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5878    1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1177    0.2144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7768   -0.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5878   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1820   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1820   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5890   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7750   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3992    2.0629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7768    1.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3992    1.0235    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 
  8 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  1  0  0  0  0 
 12 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26  2  1  0  0  0  0 
S  SKP  8 
ID	FLID1ANF0004 
KNApSAcK_ID	C00010013 
NAME	Erybraedin E 
CAS_RN	119269-73-7 
FORMULA	C22H20O4 
EXACTMASS	348.136159128 
AVERAGEMASS	348.3918 
SMILES	C(Cc(c(O)1)c(O2)c(C(C5)C2c(c4O5)cc(c3)c(c4)oc3)cc1)=C(C)C 
M  END