Mol:FL2FA9NI0019

From Metabolomics.JP
Jump to: navigation, search

FL2FA9NI0019.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.5761   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0552   -1.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5344   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5344   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0552   -0.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5761   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0135   -1.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5074   -1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5074   -0.5156    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0135   -0.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0278   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0135   -1.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5621   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0965   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0965    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5621    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0278    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0552   -2.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0552    0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5761    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5761    1.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0965    1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0558    1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5761    2.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9334    0.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4335    0.9691    0.0000 C   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  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  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  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
  2 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 21 24  1  0  0  0  0 
  6 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -1.9334    0.1031 
S  SKP  8 
ID	FL2FA9NI0019 
KNApSAcK_ID	C00008527 
NAME	Tephroleocarpin A 
CAS_RN	138590-93-9 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	COc(c3)c(c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1)C=CC(C)(C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox