Mol:FLID2ANS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -1.3679    0.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3679    0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8674    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3670    0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3670    0.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8674    1.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1335    0.0073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.6339    0.2963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.6339    0.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1335    1.1631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2536   -0.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8283   -0.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0634   -0.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1680   -1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7427   -1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9777   -0.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6381   -0.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0823   -1.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4281   -0.3168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2336    0.6425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0823    0.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0676    0.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7251    1.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2251    2.3589    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 
  7 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  8  1  0  0  0  0 
 12 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 13  1  0  0  0  0 
 18 15  1  0  0  0  0 
  7 19  1  6  0  0  0 
  8 20  1  6  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26   -1.7251    1.4929 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -2.0823      0.42 
S  SKP  8 
ID	FLID2ANS0001 
KNApSAcK_ID	C00002574 
NAME	(-)-Sparticarpin 
CAS_RN	73793-85-8 
FORMULA	C17H16O5 
EXACTMASS	300.099773622 
AVERAGEMASS	300.30593999999996 
SMILES	COc(c4)c(OC)cc(c34)[C@]([H])(O1)[C@@]([H])(CO3)c(c2)c(cc(O)c2)1 
M  END