Mol:FLIAALND0001

From Metabolomics.JP
Jump to: navigation, search

FLIAALND0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 36  0  0  0  0  0  0  0  0999 V2000 
   -2.3599    0.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3599    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8036   -0.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2473    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2473    0.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8036    0.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6910   -0.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1347    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1347    0.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6910    0.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4214   -0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4214   -0.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0161   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6109   -0.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6109   -0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0161    0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6910   -0.9293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9160   -0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9160    0.9974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8036   -0.9293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2641   -1.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6678   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2641   -0.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3539   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6970   -1.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6970   -0.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0401   -0.6304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4721    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4721    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4721    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0401    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0161    0.7425    0.0000 O   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 
  7 17  2  0  0  0  0 
  2 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 15  1  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 24 27  1  0  0  0  0 
 19 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 18  2  0  0  0  0 
 28 30  1  0  0  0  0 
 28 31  1  0  0  0  0 
 16 32  1  0  0  0  0 
S  SKP  8 
ID	FLIAALND0001 
KNApSAcK_ID	C00009930 
NAME	Lupinisoflavone L 
CAS_RN	128700-27-6 
FORMULA	C25H24O7 
EXACTMASS	436.152203122 
AVERAGEMASS	436.45385999999996 
SMILES	c(O)(c54)c(c1cc(OC(C=C5)(C)C)4)C(=O)C(c(c(O)2)ccc(O3)c2CC3C(C)(C)O)=CO1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox