Mol:FLIE1ANP0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 31  0  0  0  0  0  0  0  0999 V2000 
   -1.4482    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    0.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919   -0.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    0.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    1.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207   -0.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7770    0.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7770    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207    1.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3331   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3331   -0.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9279   -1.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5227   -0.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5227   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9279    0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2266   -0.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1169   -1.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3331    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0045    1.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5608    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5608    0.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0045   -0.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5608    1.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0739    0.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1169   -0.2762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0045   -0.7697    0.0000 O   0  0  0  0  0  0  0  0  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  2  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  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 11  2  0  0  0  0 
  7 17  1  0  0  0  0 
  1  2  1  0  0  0  0 
 12 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  9 19  2  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23  2  1  0  0  0  0 
 21 24  1  0  0  0  0 
 21 25  1  0  0  0  0 
 22 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
S  SKP  8 
ID	FLIE1ANP0004 
KNApSAcK_ID	C00009779 
NAME	Corylidin 
CAS_RN	63109-31-9 
FORMULA	C20H16O7 
EXACTMASS	368.089602866 
AVERAGEMASS	368.33684000000005 
SMILES	c(O)(c1)ccc(c52)c(oc(c(c4)c(OC5=O)cc(c43)OC(C(C(O)3)O)(C)C)2)1 
M  END