Mol:FL7DAAGO0001

From Metabolomics.JP
Jump to: navigation, search

FL7DAAGO0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -1.0465    0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0465    0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4902   -0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0661    0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0661    0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4902    1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6224   -0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1787    0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1787    0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6224    1.2067    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    1.7348    1.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3018    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8687    1.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8687    1.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3018    2.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7348    1.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4356    2.1885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6026    1.2065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4902   -0.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8591   -1.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3434   -1.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6009   -1.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8845   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4051   -0.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1636   -1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4356   -1.4154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1472   -1.8023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1755   -2.1886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4591   -0.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7446   -0.8234    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  9 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 
 14 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 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 
 25 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1 ^CH2OH 
M  SBV   1 32   -5.4011    5.5910 
S  SKP  8 
ID	FL7DAAGS0001 
KNApSAcK_ID	C00006620 
NAME	Gesnerin 
CAS_RN	19045-96-6 
FORMULA	C21H21O9 
EXACTMASS	417.11855727 
AVERAGEMASS	417.38604 
SMILES	C(C1Oc(c4)c(c(cc(O)4)3)ccc([o+1]3)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox