Mol:FLIAALNI0021

From Metabolomics.JP
Jump to: navigation, search

FLIAALNI0021.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -1.4083    0.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4083   -0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8520   -0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2957   -0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2957    0.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8520    0.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2606   -0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8169   -0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8169    0.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2606    0.5648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3730   -0.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3730   -1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9678   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5626   -1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5626   -0.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9678   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2606   -1.3620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9644    0.5647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8520   -1.3620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8520    1.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4159    1.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4159    2.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8527    2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9792    2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9644   -0.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9644   -1.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5193   -1.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5193   -2.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0730   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1106   -2.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7936   -2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0730   -1.8661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2649    0.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9794   -0.2049    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 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  6 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 
 22 24  1  0  0  0  0 
  2 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 13 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 14  1  0  0  0  0 
 16 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1 OCH3 
M  SBV   1 36   -4.8402    3.7977 
S  SKP  8 
ID	FLIAALNI0021 
KNApSAcK_ID	C00009942 
NAME	Euchrenone b4;5,7-Dihydroxy-2'-methoxy-4',5'-methylenedioxy-6,8-diprenylisoflavone 
CAS_RN	121795-46-8 
FORMULA	C27H28O7 
EXACTMASS	464.18350325 
AVERAGEMASS	464.50702 
SMILES	C(O1)=C(c(c(OC)4)cc(c3c4)OCO3)C(c(c2O)c1c(c(O)c(CC=C(C)C)2)CC=C(C)C)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox