Mol:FL5FFCGS0019

From Metabolomics.JP
Jump to: navigation, search

FL5FFCGS0019.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 40  0  0  0  0  0  0  0  0999 V2000 
   -2.2503    0.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2503   -0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6940   -0.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1377   -0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1377    0.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6940    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5814   -0.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0251   -0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0251    0.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5814    0.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5814   -0.9886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6754    0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2424    0.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8093    0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8093    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2424    1.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6754    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6940   -1.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4162    1.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5382   -0.5761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2424    2.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5825    1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5909   -1.6287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.2191   -1.9914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.0198   -1.2939    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    2.2191   -0.5922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5909   -0.2294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.7902   -0.9269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.5605   -0.9269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7523   -2.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0676   -2.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6400   -1.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7452    2.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3098    1.8782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3009    2.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9644    0.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9422    0.8379    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 
  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 
  7 11  2  0  0  0  0 
  9 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
 20  8  1  0  0  0  0 
  4  3  1  0  0  0  0 
 16 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  1  0  0  0 
 28 23  1  1  0  0  0 
 28 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 25 32  1  0  0  0  0 
 27 20  1  0  0  0  0 
 22 33  1  0  0  0  0 
 33 34  2  0  0  0  0 
 33 35  1  0  0  0  0 
  1 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  36  37 
M  SBL   1  1  39 
M  SMT   1  OCH3 
M  SVB   1 39   -2.5922     1.121 
S  SKP  8 
ID	FL5FFCGS0019 
KNApSAcK_ID	C00006033 
NAME	Purifolin 
CAS_RN	62082-22-8 
FORMULA	C24H24O13 
EXACTMASS	520.121690854 
AVERAGEMASS	520.43956 
SMILES	[C@@H]([C@H]1O)(OC(=C(c(c4)cc(c(c4)O)O)2)C(c(c(O)3)c(c(c(OC)c3)OC(C)=O)O2)=O)OC(C)[C@H]([C@H]1O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox