Mol:FL1CHYNF0002

From Metabolomics.JP
Jump to: navigation, search

FL1CHYNF0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -2.2339    0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2339   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6776   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1213   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1213    0.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6776    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5650   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0087   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5474   -0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1035   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6645   -0.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2255   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2255    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6645    0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1035    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5650   -0.8274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5474   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8416   -0.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2224    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8416    0.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8448    0.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2224    0.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8448   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1140   -0.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3995   -0.8991    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 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 
  9 17  2  0  0  0  0 
 12 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 13  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23  2  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  27 
M  SMT   1 OCH3 
M  SBV   1 27   -6.2962    3.7563 
S  SKP  8 
ID	FL1CHYNF0002 
KNApSAcK_ID	C00007017 
NAME	Ovalitenone 
CAS_RN	64280-22-4 
FORMULA	C19H14O6 
EXACTMASS	338.07903818 
AVERAGEMASS	338.31086000000005 
SMILES	c(c43)(OCO4)ccc(c3)C(=O)CC(c(c2OC)ccc(c21)occ1)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox