Mol:FL5FECGS0006

From Metabolomics.JP
Jump to: navigation, search

FL5FECGS0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -1.9173    0.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9173    0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3610   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8047    0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8047    0.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3610    0.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2484   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3079    0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3079    0.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2484    0.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2484   -0.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8640    0.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4309    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9979    0.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9979    1.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4309    1.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8640    1.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4734    0.9721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7020   -0.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3610   -0.9546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6318    1.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4309    2.6086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3876   -1.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0158   -2.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8165   -1.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0158   -0.6437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3876   -0.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5869   -0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3572   -0.9785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5490   -2.2825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8643   -2.6086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4367   -1.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6318    0.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9173   -0.3124    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 
  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 
  7 11  2  0  0  0  0 
  9 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21 15  1  0  0  0  0 
 16 22  1  0  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  1  0  0  0 
 28 23  1  1  0  0  0 
 28 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 25 32  1  0  0  0  0 
 27 19  1  0  0  0  0 
  2 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   -8.4439    5.1150 
S  SKP  8 
ID	FL5FECGS0006 
KNApSAcK_ID	C00005640 
NAME	Patuletin 3-rhamnoside 
CAS_RN	60048-92-2 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	OC(C1OC(=C(c(c4)cc(c(O)c4)O)3)C(=O)c(c2O3)c(c(OC)c(c2)O)O)C(C(O)C(C)O1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox