Mol:FL5FACGS0018

From Metabolomics.JP
Jump to: navigation, search

FL5FACGS0018.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -3.4511    0.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4511   -0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8948   -0.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3385   -0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3385    0.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8948    0.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7822   -0.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2259   -0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2259    0.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7822    0.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7822   -1.3579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6698    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1028    0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4642    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4642    1.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1028    1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6698    1.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0072    0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8948   -1.4992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9485    1.4992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6698   -0.8569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0864    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0801    0.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7793   -0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3578   -0.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9398   -0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2406    0.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6621    0.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5148    0.3223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9003    0.5695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6747    0.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2927   -0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0072   -0.5846    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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
  8 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 23 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 27 31  1  0  0  0  0 
 24 22  1  0  0  0  0 
 26 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1 CH2OH 
M  SBV   1 35   -7.7346    4.0313 
S  SKP  8 
ID	FL5FACGS0018 
KNApSAcK_ID	C00005386 
NAME	Quercetin 3'-glucoside;3,5,7,3',4'-Pentahydroxyflavone 
CAS_RN	19254-30-9 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	c(c(O)4)(cc(cc4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)OC(O1)C(O)C(O)C(O)C1CO 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox