Mol:FLIAALND0002

From Metabolomics.JP
Jump to: navigation, search

FLIAALND0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 36  0  0  0  0  0  0  0  0999 V2000 
   -1.7837    0.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7837    0.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2274    0.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6711    0.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6711    0.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2274    1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1148    0.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4415    0.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4415    0.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1148    1.3163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9976    0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9976   -0.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5924   -0.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1871   -0.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1871    0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5924    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3946    1.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7722    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3946    0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2274   -0.6106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1148   -0.6106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7814    0.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4143    0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7354    0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7354    1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7814   -0.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0080    0.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3756    0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5924    1.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3756   -0.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3756   -1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0080   -0.2900    0.0000 C   0  0  0  0  0  0  0  0  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 
  8 11  1  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 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
  1 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19  2  1  0  0  0  0 
  3 20  1  0  0  0  0 
  7 21  2  0  0  0  0 
 15 22  1  0  0  0  0 
 18 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 14 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 22 28  2  0  0  0  0 
 16 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 30 28  1  0  0  0  0 
 30 31  1  0  0  0  0 
 30 32  1  0  0  0  0 
S  SKP  8 
ID	FLIAALND0002 
KNApSAcK_ID	C00009934 
NAME	Lupinisoflavone K 
CAS_RN	128700-26-5 
FORMULA	C25H24O7 
EXACTMASS	436.152203122 
AVERAGEMASS	436.45385999999996 
SMILES	c(c(O)4)(c1cc(O5)c4CC5C(C)(C)O)C(C(c(c(O)2)ccc(O3)c(C=CC(C)(C)3)2)=CO1)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox