Mol:FL6F1CNP0003

From Metabolomics.JP
Jump to: navigation, search

FL6F1CNP0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -2.5560   -0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5560   -1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9997   -1.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4434   -1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4434   -0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9997   -0.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8871   -1.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3308   -1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3308   -0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8871   -0.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2253   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7923   -0.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3593   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3593   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7923    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2253   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1121   -0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9263    0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7923    0.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9261   -0.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3415    0.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3415    0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9071    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9071    1.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4727    0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4932   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4932   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9260   -1.6468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0600   -0.9924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0601    0.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1121   -0.1762    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 
  9 11  1  6  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 
  1 17  1  0  0  0  0 
 18 14  1  0  0  0  0 
 15 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 18  1  0  0  0  0 
 20 28  1  0  0  0  0 
 26 29  1  0  0  0  0 
 27 30  1  0  0  0  0 
 27 31  1  0  0  0  0 
S  SKP  8 
ID	FL6F1CNP0003 
KNApSAcK_ID	C00008790 
NAME	Broussoflavan A 
CAS_RN	160262-53-3 
FORMULA	C25H30O6 
EXACTMASS	426.204238692 
AVERAGEMASS	426.5021 
SMILES	C(C1)C(c(c3CC=C(C)C)cc(C(O)4)c(OC(C4O)(C)C)c(O)3)Oc(c2)c(ccc(O)2)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox