Mol:FLNAA9NI0003

From Metabolomics.JP
Jump to: navigation, search

FLNAA9NI0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -0.3924    0.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7200    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7200   -0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968   -0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8735   -0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8735    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968    0.6798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3924   -0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639   -0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968   -1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7438   -1.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7438   -2.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2968   -2.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8497   -2.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8497   -1.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4498    0.6795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639    1.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3924    1.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1639   -1.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9485    0.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5043   -0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9485   -0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9771   -0.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9485   -1.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3924    2.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1637    2.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9485    2.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4498   -0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5044    0.3454    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  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  5 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 
  2 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 10 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23  9  1  0  0  0  0 
 22 24  1  0  0  0  0 
 23 25  2  0  0  0  0 
 19 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 24 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
S  SKP  8 
ID	FLNAA9NI0003 
KNApSAcK_ID	C00010219 
NAME	5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin 
CAS_RN	30390-12-6 
FORMULA	C25H26O5 
EXACTMASS	406.178023942 
AVERAGEMASS	406.47094 
SMILES	CC(CC)C(c(c(O)1)c(c(CC=C(C)C)c(O2)c1C(c(c3)cccc3)=CC(=O)2)O)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox