Mol:FL1B19NF0001

From Metabolomics.JP
Jump to: navigation, search

FL1B19NF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 25  0  0  0  0  0  0  0  0999 V2000 
   -0.2937   -1.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7530   -1.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3164   -1.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4205   -2.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9612   -2.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3978   -2.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2147   -1.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0696   -0.9967    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.5284   -0.9549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6211   -1.7678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6935   -1.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0797   -0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3709   -1.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9533   -1.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2445   -0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9533   -0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3709   -0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8457   -1.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2770   -1.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0142   -2.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5819   -0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2247    0.3798    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 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  2  1  0  0  0  0 
  7 10  2  0  0  0  0 
  8 11  1  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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20  4  1  0  0  0  0 
  8 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24     0.959   -0.0978 
S  SKP  8 
ID	FL1B19NF0001 
KNApSAcK_ID	C00008072 
NAME	Castillene A 
CAS_RN	126585-60-2 
FORMULA	C18H14O4 
EXACTMASS	294.089208936 
AVERAGEMASS	294.30136 
SMILES	C(C(O4)(C(c(c43)ccc(c32)occ2)=O)OC)c(c1)cccc1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox