Mol:FLNF19NP0002

From Metabolomics.JP
Jump to: navigation, search

FLNF19NP0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -2.8579   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5559   -2.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7309   -2.5707    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  1  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 
  5  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  6  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14  9  1  0  0  0  0 
  7 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 16  1  0  0  0  0 
 17 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  2  0  0  0  0 
 24 26  1  0  0  0  0 
 13 27  1  1  0  0  0 
 12 28  1  6  0  0  0 
 10 29  1  0  0  0  0 
 14 30  2  0  0  0  0 
  3 31  1  0  0  0  0 
  3 32  1  0  0  0  0 
S  SKP  8 
ID	FLNF19NP0002 
KNApSAcK_ID	C00010270 
NAME	Chapelieric acid methyl ester 
CAS_RN	34336-12-4 
FORMULA	C26H28O6 
EXACTMASS	436.188588628 
AVERAGEMASS	436.49692 
SMILES	C(C(C)4)(C)Oc(c2C(=O)4)c(c(O3)c(C=CC(C)(C)3)c2O)C(c(c1)cccc1)CC(OC)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox