Mol:FL2FDCNS0001

From Metabolomics.JP
Jump to: navigation, search

FL2FDCNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -2.4975    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4975   -0.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7830   -0.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0686   -0.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0686    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7830    0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3541   -0.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3604   -0.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3604    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3541    0.7227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1189    0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8334    0.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5478    0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5478    1.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8334    1.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1189    1.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3541   -1.6533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1679    0.6973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8174    0.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7830   -1.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3574   -1.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3325    0.4932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8174    1.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3325    1.8281    0.0000 O   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 
 18 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 14  1  0  0  0  0 
S  SKP  8 
ID	FL2FDCNS0001 
KNApSAcK_ID	C00014128 
NAME	(2S)-5,7-Dimethoxy-3',4'-methylenedioxyflavanone 
CAS_RN	610770-50-8 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	O(C(c(c4)cc(c3c4)OCO3)2)c(c(C(=O)C2)1)cc(OC)cc1OC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox