Mol:FLIAALNI0004

From Metabolomics.JP
Jump to: navigation, search

FLIAALNI0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -2.3617    1.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3617    1.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8054    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2491    1.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2491    1.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8054    2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6928    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1365    1.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1365    1.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6928    2.1866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4196    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4196    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144   -0.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6092    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6092    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144    1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6928    0.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8054    0.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9178    2.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2034   -0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1746   -0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144   -0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6086   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6086   -1.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2028   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2034    1.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9178    0.8325    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  2  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 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 12 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 15 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  29 
M  SMT   1 OCH3 
M  SBV   1 29   -6.0121    6.2716 
S  SKP  8 
ID	FLIAALNI0004 
KNApSAcK_ID	C00009510 
NAME	Piscerythrone;5,7,2',4'-Tetrahydroxy-5'-methoxy-3'-prenylisoflavone 
CAS_RN	6506-96-3 
FORMULA	C21H20O7 
EXACTMASS	384.120902994 
AVERAGEMASS	384.37929999999994 
SMILES	C(c(c(O)1)c(O)c(OC)cc1C(C(=O)2)=COc(c3)c2c(cc(O)3)O)C=C(C)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox