Mol:FL3FALNR0004

From Metabolomics.JP
Jump to: navigation, search

FL3FALNR0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.1034    0.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1034   -0.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5471   -0.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0092   -0.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0092    0.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5471    0.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5655   -0.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1218   -0.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1218    0.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5655    0.9541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5655   -0.8315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6779    0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2449    0.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8119    0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8119    1.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2449    1.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6779    1.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6595    0.9539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5471   -0.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6595   -0.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2156   -0.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7705   -0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3254   -0.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7705   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3254    1.8434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6781   -0.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2344   -0.0095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6781   -0.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2342   -1.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2342   -1.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7903   -0.9728    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 25 15  1  0  0  0  0 
  8 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 13  1  0  0  0  0 
 26 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	FL3FALNR0004 
KNApSAcK_ID	C00004099 
NAME	Isocyclomulberrin;(+)-3,8,10-Trihydroxy-9-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one 
CAS_RN	152186-79-3 
FORMULA	C25H24O6 
EXACTMASS	420.1572885 
AVERAGEMASS	420.45446 
SMILES	CC(C)=CCc(c(O)1)c(c(C2=O)c(OC(c43)=C2C(C=C(C)C)Oc3cc(O)cc4)c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox