Mol:FLIA2CNP0001

From Metabolomics.JP
Jump to: navigation, search

FLIA2CNP0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 32  0  0  0  0  0  0  0  0999 V2000 
   -1.5725    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5725    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0162   -0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4599    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4599    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0162    1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0964   -0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6527    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6527    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0964    1.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2088   -0.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2088   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8036   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3984   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3984   -0.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8036    0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0964   -0.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0162    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5725    1.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1288    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1288    1.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7788    2.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9088    1.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9464   -1.9662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6294   -2.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9088   -1.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2870    0.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5725   -0.2642    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  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  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 
  6 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21  1  1  0  0  0  0 
 20 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
 13 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 14  1  0  0  0  0 
  2 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  31 
M  SMT   1 ^OCH3 
M  SBV   1 31   -6.2016    3.2037 
S  SKP  8 
ID	FLIA2CNP0001 
KNApSAcK_ID	C00009441 
NAME	Durmillone 
CAS_RN	7731-09-1 
FORMULA	C22H18O6 
EXACTMASS	378.110338308 
AVERAGEMASS	378.37472 
SMILES	c(O5)(c1OC5)cc(C(=C4)C(c(c(O4)3)cc(OC)c(c32)OC(C=C2)(C)C)=O)cc1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox