Mol:FL2FACNI0016

From Metabolomics.JP
Jump to: navigation, search

FL2FACNI0016.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.6825   -0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6639   -0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8868   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2319   -0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2177   -0.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9434    0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5230   -1.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1968   -0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1876   -0.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5037    0.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9021    0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5932   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3045    0.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3250    1.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6132    1.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8929    1.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5230   -2.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3969    0.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8868   -2.1196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9480    1.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9599    1.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7111    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9703    0.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4642    1.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2309    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9703    1.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4642    1.0176    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 
  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 13 23  1  0  0  0  0 
 22 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 24 27  1  0  0  0  0 
S  SKP  8 
ID	FL2FACNI0016 
KNApSAcK_ID	C00014201 
NAME	Licoleafol;(2S)-5,7,3',4'-Tetrahydroxy-8-[(E)-3-hydroxymethyl-2-butenyl]flavanone 
CAS_RN	677709-68-1 
FORMULA	C20H20O7 
EXACTMASS	372.120902994 
AVERAGEMASS	372.3686 
SMILES	C(=O)(C2)c(c1OC2c(c3)cc(c(O)c3)O)c(cc(O)c(CC=C(CO)C)1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox