Mol:FL2FACNP0007

From Metabolomics.JP
Jump to: navigation, search

FL2FACNP0007.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 31  0  0  0  0  0  0  0  0999 V2000 
   -2.0818   -1.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5609   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0401   -1.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0401   -0.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5609   -0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0818   -0.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5192   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0017   -1.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0017   -0.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5192   -0.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5221   -0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5192   -2.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0564   -0.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5908   -0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5908    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0564    0.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5221    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6022   -0.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5609   -2.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1252    0.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1252    1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5908    1.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0564    1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5230    1.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5908    2.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4286    1.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6022    1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1243   -0.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  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  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 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 11  1  0  0  0  0 
  6 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
 15 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 16  1  0  0  0  0 
 23 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
 21 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 14 28  1  0  0  0  0 
S  SKP  8 
ID	FL2FACNP0007 
KNApSAcK_ID	C00008516 
NAME	Sigmoidin G 
CAS_RN	151590-50-0 
FORMULA	C20H20O8 
EXACTMASS	388.11581761599996 
AVERAGEMASS	388.368 
SMILES	O(C4(C)C)c(c(O)1)c(C(C4O)O)cc(C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox