Mol:FL1CA9NR0001

From Metabolomics.JP
Jump to: navigation, search

FL1CA9NR0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
    2.3985    1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3985    0.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9548    0.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5111    0.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5111    1.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9548    1.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2653    0.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8216    0.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7092    0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1482    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7092   -0.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1482    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4044    1.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9571    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9571    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4044    0.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4044   -0.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8810    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5096    1.6638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7007    1.6638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4245    0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9681    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9681   -0.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4245   -0.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8810   -0.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5111    0.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3747   -0.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6841   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5598   -1.6638    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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 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 10  1  0  0  0  0 
 16 17  1  0  0  0  0 
 18 15  1  6  0  0  0 
 14 19  1  0  0  0  0 
 12 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 18  1  0  0  0  0 
 22 26  1  0  0  0  0 
 25 27  1  1  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
S  SKP  8 
ID	FL1CA9NR0001 
KNApSAcK_ID	C00007129 
NAME	Linderachalcone 
CAS_RN	120948-04-1 
FORMULA	C25H28O4 
EXACTMASS	392.19875938399997 
AVERAGEMASS	392.48742 
SMILES	O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)C=Cc(c1)cccc1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox