Mol:FL2FACNI0013

From Metabolomics.JP
Jump to: navigation, search

FL2FACNI0013.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
   -3.4832   -0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4647   -0.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6875   -1.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0327   -0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0185   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7442    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2778   -1.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6040   -0.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6132   -0.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2970    0.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1013    0.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7924   -0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5037    0.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5242    1.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8125    1.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0921    1.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2778   -2.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1977    0.3213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6875   -2.1047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2387    1.6245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2182   -0.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5069   -1.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5069   -2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7924   -2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2213   -2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7924   -0.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8125    2.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8420    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5603   -0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5603   -0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1977    0.2882    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 
  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 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 12 26  1  0  0  0  0 
 26 22  1  0  0  0  0 
 15 27  1  0  0  0  0 
 21 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  1  0  0  0  0 
 29 31  1  0  0  0  0 
S  SKP  8 
ID	FL2FACNI0013 
KNApSAcK_ID	C00014176 
NAME	Abyssinin III;Abyssinoflavanone III;5,7,3',4'-Tetrahydroxy-5',6'-diprenylflavanone 
CAS_RN	183990-15-0 
FORMULA	C25H28O6 
EXACTMASS	424.188588628 
AVERAGEMASS	424.48622 
SMILES	c(c3O)c(cc(c32)OC(CC2=O)c(c1)c(c(CC=C(C)C)c(O)c(O)1)CC=C(C)C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox