Mol:FL3FA9ND0001

From Metabolomics.JP
Jump to: navigation, search

FL3FA9ND0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 35  0  0  0  0  0  0  0  0999 V2000 
   -0.7145   -1.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -0.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -1.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -1.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145   -1.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145   -0.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    0.0060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434   -0.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    1.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -2.3115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -1.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -0.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -2.3440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    1.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579    0.0060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8158    1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1514    2.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9719    2.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1514    2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6117    2.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3264    1.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5877    1.4235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    0.4950    0.0000 H   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 17  2  0  0  0  0 
 16  4  2  0  0  0  0 
  4  1  1  0  0  0  0 
  1  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  2  1  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 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  9  1  0  0  0  0 
  5 15  2  0  0  0  0 
 17 16  1  0  0  0  0 
  4 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  3 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 17  1  0  0  0  0 
 20 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 25 27  1  0  0  0  0 
 25 28  1  0  0  0  0 
 24 29  2  0  0  0  0 
 20 30  1  6  0  0  0 
 21 31  1  6  0  0  0 
S  SKP  8 
ID	FL3FA9ND0001 
KNApSAcK_ID	C00013471 
NAME	Stachyoidin;(8aR,11aR)-rel-(-)-8a,11a-Dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione 
CAS_RN	35820-34-9 
FORMULA	C23H20O6 
EXACTMASS	392.125988372 
AVERAGEMASS	392.4013 
SMILES	C(C)(C)(O1)C(=O)C(c52)([H])C([H])(COc(cc(OC)c(c53)C(C=C(c(c4)cccc4)O3)=O)2)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox