Mol:FL4DACNI0002

From Metabolomics.JP
Jump to: navigation, search

FL4DACNI0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 39  0  0  0  0  0  0  0  0999 V2000 
   -1.8367   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3158   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7950   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7950   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3158   -0.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8367   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2741   -1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2468   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2468   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2741   -0.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2741   -1.9136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3158   -1.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8309   -0.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3528   -0.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8747   -0.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8747    0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3528    0.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8309    0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3966    0.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3528    1.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7829   -1.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3966   -0.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3158    0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8362    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8362    1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3566    1.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3158    1.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3093    0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3093    1.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2110    1.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2110    2.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7314    1.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3528   -1.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8744   -1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8744   -1.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3936   -2.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3552   -2.2556    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 
  7 11  2  0  0  0  0 
  2 12  1  0  0  0  0 
  9 13  1  6  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 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
 16 19  1  0  0  0  0 
 20 17  1  0  0  0  0 
  8 21  1  1  0  0  0 
 22  6  1  0  0  0  0 
  5 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 18 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 30 31  1  0  0  0  0 
 30 32  1  0  0  0  0 
 14 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  2  0  0  0  0 
 35 36  1  0  0  0  0 
 35 37  1  0  0  0  0 
S  SKP  8 
ID	FL4DACNI0002 
KNApSAcK_ID	C00008638 
NAME	Petalostemumol 
CAS_RN	152253-68-4 
FORMULA	C30H36O7 
EXACTMASS	508.246103506 
AVERAGEMASS	508.60264000000006 
SMILES	C(Cc(c(C(O2)C(C(c(c(O)3)c2c(CC=C(C)C)c(O)c3)=O)O)1)cc(O)c(O)c1CC=C(C)C)=C(C)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox