Mol:FLID1CNI0003

From Metabolomics.JP
Jump to: navigation, search

FLID1CNI0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -1.6282    1.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6282    1.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0719    0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5156    1.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5156    1.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0719    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0407    0.8677    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.5970    1.1889    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.5970    1.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0407    2.1524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1531    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1531    0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479   -0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3427    0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3427    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479    1.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0424    0.1812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2994    2.2187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1843    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1843    0.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392   -0.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392   -0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2941    0.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479   -0.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3421   -1.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3421   -1.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7491   -2.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9351   -2.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3427    0.1810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3427    0.1810    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 
  7 17  1  0  0  0  0 
 12 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 13 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 14 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32    2.5796   -0.0253 
S  SKP  8 
ID	FLID1CNI0003 
KNApSAcK_ID	C00010012 
NAME	Erycristin;(6aR,11aR)-3-Hydroxy-9-methoxy-2,10-diprenylpterocarpan 
CAS_RN	114416-06-7 
FORMULA	C26H30O4 
EXACTMASS	406.21440944799997 
AVERAGEMASS	406.51399999999995 
SMILES	c(c1)c(C42)c(OC2c(c3)c(OC4)cc(c3CC=C(C)C)O)c(CC=C(C)C)c(OC)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox