Mol:FLIABCNF0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 29  0  0  0  0  0  0  0  0999 V2000 
   -2.2752    0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2752   -0.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7189   -0.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1626   -0.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1626    0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7189    0.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6063   -0.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0500   -0.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0500    0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6063    0.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5061   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5061   -1.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1009   -1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6957   -1.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6957   -0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1009   -0.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6063   -1.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3489   -1.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7526   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3489   -0.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8524    1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4913    1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7526    0.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1553   -0.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4408   -1.0481    0.0000 C   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  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 
  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 
  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  6 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23  1  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  28 
M  SMT   1 OCH3 
M  SBV   1 28   -5.6981    4.9480 
S  SKP  8 
ID	FLIABCNF0002 
KNApSAcK_ID	C00009909 
NAME	Garhwalin 
CAS_RN	113023-68-0 
FORMULA	C19H12O6 
EXACTMASS	336.063388116 
AVERAGEMASS	336.29498 
SMILES	c(c51)(OCO5)ccc(C(C2=O)=COc(c34)c(c(OC)cc3occ4)2)c1 
M  END