Mol:FL1C1ANI0028

From Metabolomics.JP
Jump to: navigation, search

FL1C1ANI0028.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 38 40  0  0  0  0  0  0  0  0999 V2000 
   -4.5881    3.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3060    2.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3276    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6169    1.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8990    2.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8809    2.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.0205    3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.0421    1.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.7620    2.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1845    1.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1845    0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4834    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7864    0.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4834   -0.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7884   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7884   -1.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0951   -2.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5247   -2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4020   -1.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3276   -2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3304   -2.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0463   -3.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7593   -2.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7565   -2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0406   -1.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3827   -3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0378   -0.8665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4695   -1.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4667   -0.8616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1854   -2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8985   -1.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6144   -2.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6172   -2.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3331   -3.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0461   -2.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0433   -2.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3274   -1.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7620   -3.3219    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 
  2  7  1  0  0  0  0 
  3  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  5 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 
 12 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 20  1  0  0  0  0 
 21 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 28 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 34  1  0  0  0  0 
 34 35  2  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  2  0  0  0  0 
 37 32  1  0  0  0  0 
 35 38  1  0  0  0  0 
S  SKP  8 
ID	FL1C1ANI0028 
KNApSAcK_ID	C00014453 
NAME	Gemichalcone A;3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-4,2',4'-trihydroxychalcone 
CAS_RN	189031-25-2 
FORMULA	C30H28O8 
EXACTMASS	516.178417872 
AVERAGEMASS	516.5385200000001 
SMILES	C(=Cc(c3)cc(OC)c(O)c3)C(=O)OCC(C)=CCc(c1O)c(O)ccc(C(C=Cc(c2)ccc(c2)O)=O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox