Mol:FL1DA9NC0007

From Metabolomics.JP
Jump to: navigation, search

FL1DA9NC0007.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 38  0  0  0  0  0  0  0  0999 V2000 
   -1.0705   -0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705   -1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5165   -1.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0375   -1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0375   -0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5165   -0.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5912   -1.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1437   -1.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6951   -1.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2452   -1.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7836   -1.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3220   -1.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3220   -0.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7836   -0.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2452   -0.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5912   -1.9670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5165   -1.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6242   -0.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5912   -0.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6242   -1.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1780   -1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1780   -0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7500   -0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3220   -0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3220   -1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7500   -1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5225    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0940    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0940    1.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6340    1.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1739    1.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1739    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6340    0.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5546    1.9682    0.0000 O   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 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  5 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 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 21  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  2  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  2  0  0  0  0 
 33 28  1  0  0  0  0 
 29 34  1  0  0  0  0 
 27  6  1  0  0  0  0 
 22 18  1  0  0  0  0 
S  SKP  8 
ID	FL1DA9NC0007 
KNApSAcK_ID	C00007966 
NAME	Chamuvaritin;1-[1,3-Dihydroxy-4-[(2-hydroxyphenyl)methyl]-9H-xanthen-2-yl]-3-phenyl-1-propanone 
CAS_RN	64675-27-0 
FORMULA	C29H24O5 
EXACTMASS	452.162373878 
AVERAGEMASS	452.49786 
SMILES	c(c1)cc(Cc(c23)c(O)c(C(=O)CCc(c5)cccc5)c(O)c2Cc(c4)c(ccc4)O3)c(c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox