Mol:FL2FECNF0001

From Metabolomics.JP
Jump to: navigation, search

FL2FECNF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 30  0  0  0  0  0  0  0  0999 V2000 
   -1.8175   -0.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8175   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2612   -1.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7049   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7049   -0.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2612    0.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1486   -1.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4077   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4077   -0.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1486    0.1455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9638    0.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5308   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0978    0.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0978    0.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5308    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9638    0.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1486   -1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2612   -1.7813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5319    1.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2532    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6468    1.6853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3947    0.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0336    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2948    0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5319   -0.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8175   -1.1391    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  1  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 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 15  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24  1  1  0  0  0  0 
  2 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  29 
M  SMT   1 ^OCH3 
M  SBV   1 29   -8.2822    6.3302 
S  SKP  8 
ID	FL2FECNF0001 
KNApSAcK_ID	C00008312 
NAME	5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone 
CAS_RN	78017-93-3 
FORMULA	C19H14O7 
EXACTMASS	354.073952802 
AVERAGEMASS	354.31026 
SMILES	c(c51)(OCO5)ccc(C(O2)CC(c(c4O)c2c(c(c4OC)3)cco3)=O)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox