Mol:FLIC1LNS0015

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

FLIC1LNS0015.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -2.1515    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1515    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5952    0.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0389    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0389    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5952    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4826    0.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0737    0.4677    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0737    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4826    1.4312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6298    0.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6298   -0.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2246   -0.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8194   -0.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8194    0.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2246    0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7708    1.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2246    1.1762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8194   -0.5402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8194   -0.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8072   -1.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5217   -1.4676    0.0000 C   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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 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 
 17  1  1  0  0  0  0 
 16 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23    0.8072   -1.0551 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    2.0563   -0.7464 
S  SKP  8 
ID	FLIC1LNS0015 
KNApSAcK_ID	C00010029 
NAME	Methoxyvestitol;(3R)-7,2'-Dihydroxy-4',5'-dimethoxyisoflavan 
CAS_RN	122587-86-4 
FORMULA	C17H18O5 
EXACTMASS	302.115423686 
AVERAGEMASS	302.32182 
SMILES	COc(c3)c(OC)cc(c(O)3)C(C1)Cc(c2)c(cc(O)c2)O1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox