Mol:FL1DA9NR0007

From Metabolomics.JP
Jump to: navigation, search

FL1DA9NR0007.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -2.2357   -1.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6465   -1.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0573   -1.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0573   -0.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6465   -0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2357   -0.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4004   -1.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2104   -1.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8499   -1.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4317   -1.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0123   -1.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5929   -1.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5929   -0.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0123   -0.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4317   -0.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4004   -2.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6465   -2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4810   -0.2731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2642    0.5361    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.1510    0.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0009    1.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5681    1.6705    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.9834    1.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8314    0.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7039    2.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3342    0.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7850    0.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6009   -0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5929    0.0129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0929    0.8789    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 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  2 17  1  0  0  0  0 
  4 18  1  0  0  0  0 
 19 18  1  1  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 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 19  1  0  0  0  0 
 22 25  1  0  0  0  0 
 19 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
  6 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  31 
M  SMT   1  OCH3 
M  SVB   1 31   -2.5929    0.0129 
S  SKP  8 
ID	FL1DA9NR0007 
KNApSAcK_ID	C00008111 
NAME	Adunctin A 
CAS_RN	151484-73-0 
FORMULA	C26H32O4 
EXACTMASS	408.23005951199997 
AVERAGEMASS	408.52987999999993 
SMILES	CC(C)[C@@](Oc(c3)c(c(cc(OC)3)O)C(=O)CCc(c2)cccc2)(C1)C=CC(C1)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox