Mol:FL3FA9GS0006

From Metabolomics.JP
Jump to: navigation, search

FL3FA9GS0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 41 45  0  0  0  0  0  0  0  0999 V2000 
    1.1218    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1218   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6781   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2344   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2344    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6781    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7907   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3470   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3470    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7907    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7907   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9031    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4701    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0370    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0370    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4701    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9031    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6781   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5657    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7441    0.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -1.2883   -0.3935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.6319   -0.1383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.0014   -0.1315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.4588    0.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0330    0.0258    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.3751   -0.1562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9988   -0.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2558   -0.7696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1984    3.2478    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.4915    2.5521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.9423    2.1114    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.6198    1.5663    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.4512    2.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0008    2.5409    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.8294    3.6121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8767    3.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3010    1.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3128    0.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9108    1.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6338    2.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6338    3.4586    0.0000 O   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 
  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 
  1 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 19  1  0  0  0  0 
 29 30  1  1  0  0  0 
 30 31  1  1  0  0  0 
 32 31  1  1  0  0  0 
 32 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 29  1  0  0  0  0 
 29 35  1  0  0  0  0 
 30 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 25 38  1  0  0  0  0 
 38 39  1  0  0  0  0 
 39 32  1  0  0  0  0 
 34 40  1  0  0  0  0 
 40 41  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  40  41 
M  SBL   1  1  44 
M  SMT   1  CH2OH 
M  SVB   1 44   -3.5919    0.8094 
S  SKP  8 
ID	FL3FA9GS0006 
KNApSAcK_ID	C00004114 
NAME	Chrysin 7-gentiobioside 
CAS_RN	88640-89-5 
FORMULA	C27H30O14 
EXACTMASS	578.163555668 
AVERAGEMASS	578.5187000000001 
SMILES	C(CO[C@@H]([C@H]5O)OC([C@@H]([C@H](O)5)O)CO)(O1)[C@H](O)[C@@H]([C@H](O)[C@H](Oc(c4)cc(c2c(O)4)OC(c(c3)cccc3)=CC2=O)1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox