Mol:FL6F1CNP0001

From Metabolomics.JP
Jump to: navigation, search

FL6F1CNP0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
   -2.5770   -0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5770   -1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0207   -1.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4644   -1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4644   -0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0207   -0.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9081   -1.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3518   -1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3518   -0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9081   -0.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2043   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7712   -0.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3382   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3382   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7712    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2043   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1331   -0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9052   -0.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4722   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4722   -0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9052    0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3625    0.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3625    0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9282    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9282    1.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4938    0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7712    0.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9775    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1331   -0.1875    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 
 13 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 14  1  0  0  0  0 
 16 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 15 27  1  0  0  0  0 
 20 28  1  0  0  0  0 
 20 29  1  0  0  0  0 
S  SKP  8 
ID	FL6F1CNP0001 
KNApSAcK_ID	C00008787 
NAME	Kazinol B 
CAS_RN	99624-27-8 
FORMULA	C25H28O4 
EXACTMASS	392.19875938399997 
AVERAGEMASS	392.48742 
SMILES	c(c1)c(C2)c(OC(c(c(CC=C(C)C)4)cc(c(c(O)4)3)C=CC(O3)(C)C)C2)cc1O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox