Mol:FL1CQUNM0002

From Metabolomics.JP
Jump to: navigation, search

FL1CQUNM0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 25  0  0  0  0  0  0  0  0999 V2000 
    1.4317    0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4317   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9880   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5443   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5443    0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9880    0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2985   -0.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8548   -0.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2576   -0.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8186   -0.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2576   -1.0829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8186    0.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3712    0.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9238    0.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9238   -0.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3712   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3712   -1.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4764   -0.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2659    0.8487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9602    1.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8151    1.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3729    0.7889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5443    0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9880   -1.1050    0.0000 O   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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 10  2  0  0  0  0 
 16 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 12 19  2  0  0  0  0 
 13 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 14 22  2  0  0  0  0 
 15 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
S  SKP  8 
ID	FL1CQUNM0002 
KNApSAcK_ID	C00007172 
NAME	2-Hydroxy-7,8-dehydrograndiflorone 
CAS_RN	77744-54-8 
FORMULA	C19H20O5 
EXACTMASS	328.13107375 
AVERAGEMASS	328.3591 
SMILES	C(C(=C2O)C(C(C(C2(C)C)=O)(C)C)=O)(=O)C=Cc(c1)c(O)ccc1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox