Mol:FLIB1LNF0001

From Metabolomics.JP
Jump to: navigation, search

FLIB1LNF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -1.9669    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9669    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4106    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8543    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8543    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4106    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2980    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2583    0.3315    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.2583    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2980    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8144    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8144   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4092   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0040   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0040    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4092    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2980   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5778    1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9554    0.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5778    0.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8701   -1.3920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8703   -2.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8700   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7361   -1.6763    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 
  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 11  2  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20  2  1  0  0  0  0 
 12 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 14 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    2.2409   -0.8826 
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    0.0999   -0.6069 
S  SKP  8 
ID	FLIB1LNF0001 
KNApSAcK_ID	C00009547 
NAME	Neoraunone 
CAS_RN	76165-16-7 
FORMULA	C19H16O5 
EXACTMASS	324.099773622 
AVERAGEMASS	324.32734 
SMILES	c(c(C(C4=O)COc(c43)cc(c2c3)occ2)1)(OC)cc(OC)cc1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox