Mol:FLNAA9GS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -0.4354    1.5299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1209    1.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6772    1.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2333    1.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2333    0.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8100    0.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3867    0.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3867    1.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8100    1.5418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1211    0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6772    0.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8100   -0.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2571   -0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2571   -1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8100   -1.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3629   -1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3629   -0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9631    1.5416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6873   -0.3744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4492    1.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0781    0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5436    0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0278    0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4026    1.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8702    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9631    0.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6567    0.5787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2373    0.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2687    1.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4718    1.5190    0.0000 O   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  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11  5  1  0  0  0  0 
  6 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 
  8 18  2  0  0  0  0 
 11 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23  1  1  0  0  0  0 
 25 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1 ^CH2OH 
M  SBV   1 32   -4.3349    5.6996 
S  SKP  8 
ID	FLNAA9GS0001 
KNApSAcK_ID	C00010197 
NAME	Serratin 7-O-glucoside;5,7-Dihydroxy-4-phenylcoumarin 7-O-glucoside 
CAS_RN	83161-47-1 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	c(c3)(O)c(c2cc3OC(O4)C(O)C(O)C(O)C4CO)C(=CC(=O)O2)c(c1)cccc1 
M  END