Mol:FL3FF8GS0010

From Metabolomics.JP
Jump to: navigation, search

FL3FF8GS0010.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -1.8616    0.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8616    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1471   -0.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4326    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4326    0.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1471    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2819   -0.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9963    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9963    0.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2819    1.3169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7108    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4253    0.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1397    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1397    2.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4253    2.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7108    2.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2819   -1.1581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5812    1.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4253    0.1443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1471   -1.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1471    2.0104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4562   -1.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2730   -1.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6028   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2722   -0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4554   -0.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1254   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5682   -1.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0536   -1.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5367   -2.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7918   -2.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9993   -1.7684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2722    0.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6625    2.5258    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  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 
 18  1  1  0  0  0  0 
 12 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 19  1  0  0  0  0 
 18 33  1  0  0  0  0 
 21 34  1  0  0  0  0 
S  SKP  8 
ID	FL3FF8GS0010 
KNApSAcK_ID	C00013653 
NAME	Skullcapflavone I 2'-O-glucoside;2-[2-(beta-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	175991-74-9 
FORMULA	C23H24O11 
EXACTMASS	476.13186161 
AVERAGEMASS	476.43006 
SMILES	OC(C1O)C(Oc(c2)c(C(O4)=CC(=O)c(c43)c(O)cc(c3OC)OC)ccc2)OC(CO)C1O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox