Mol:FL3FDBNS0001

From Metabolomics.JP
Jump to: navigation, search

FL3FDBNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.4197    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2768    1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2998   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853   -1.4198    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  3 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24   -2.2998   -1.0073 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22    2.0624    1.4197 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -2.7769    0.7355 
S  SKP  8 
ID	FL3FDBNS0001 
KNApSAcK_ID	C00003821 
NAME	Apigenin 5,7,4'-trimethyl ether 
CAS_RN	5631-70-9 
FORMULA	C18H16O5 
EXACTMASS	312.099773622 
AVERAGEMASS	312.31664 
SMILES	c(C(=C3)Oc(c(C(=O)3)2)cc(OC)cc2OC)(c1)ccc(OC)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox