Mol:FL2FA9NN0001

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL2FA9NN0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 34  0  0  0  0  0  0  0  0999 V2000 
   -1.4596    1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7453    1.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4596    0.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7444    0.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0302    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0306    1.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6845    0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3988    0.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3983    1.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6836    1.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0272    1.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7419    1.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4561    1.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4557    2.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7410    2.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0267    2.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6849   -0.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7439   -0.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1743    1.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8885    1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8885    0.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1743    0.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4561    1.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1743   -0.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8888   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8888   -1.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1743   -2.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4598   -1.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4598   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1743   -2.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  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  2  1  0  0  0  0 
  5  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  6  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 
  7 17  2  0  0  0  0 
  4 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22  3  1  0  0  0  0 
 20 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 24  1  0  0  0  0 
 27 30  1  0  0  0  0 
S  SKP  8 
ID	FL2FA9NN0001 
KNApSAcK_ID	C00014283 
NAME	Calomelanol I;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione 
CAS_RN	143228-46-0 
FORMULA	C24H18O6 
EXACTMASS	402.110338308 
AVERAGEMASS	402.39612 
SMILES	C(c(c5)ccc(c5)O)(C4)c(c3OC4=O)c(O)c(c(c3)1)C(=O)CC(c(c2)cccc2)O1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox