Mol:FL1DA9NN0001

From Metabolomics.JP
Jump to: navigation, search

FL1DA9NN0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
   -1.6446   -0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6446   -1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0906   -1.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5365   -1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5365   -0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0906   -0.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0172   -1.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5697   -1.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1210   -1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6712   -1.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2095   -1.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7479   -1.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7479   -0.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2095   -0.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6712   -0.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0172   -1.9670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0906   -1.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1983   -0.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0965    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6681    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6681    1.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2080    1.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7479    1.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7479    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2080    0.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0528   -0.0293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0528    0.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5365    0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4697    0.8919    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 
  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 11  2  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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 20  1  0  0  0  0 
 19  6  1  0  0  0  0 
  5 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 19  1  0  0  0  0 
 27 29  2  0  0  0  0 
S  SKP  8 
ID	FL1DA9NN0001 
KNApSAcK_ID	C00007967 
NAME	Calomelanol D-1 
CAS_RN	73810-61-4 
FORMULA	C24H20O5 
EXACTMASS	388.13107375 
AVERAGEMASS	388.4126 
SMILES	C(C(c(c32)c(cc(c(C(c(c4)cccc4)CC(=O)O3)2)O)O)=O)Cc(c1)cccc1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox