Mol:FL1C3CGS0016

From Metabolomics.JP
Jump to: navigation, search

FL1C3CGS0016.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 38  0  0  0  0  0  0  0  0999 V2000 
   -0.9073   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9073   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3533   -1.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2007   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2007   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3533   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7544   -1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3069   -1.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8583   -1.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4084   -1.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9468   -1.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4851   -1.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4851   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9468   -0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4084   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7544   -2.0056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3533   -2.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4610   -0.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3922   -1.4184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0234   -1.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5074   -0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1611   -0.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6625   -0.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1429   -0.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5310   -0.2139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0404   -0.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8945   -0.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7009   -0.7889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3769   -1.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4858    0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4858    0.8934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1078    1.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7379    1.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1078    2.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0234   -0.1169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7379   -0.5294    0.0000 C   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 
  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 11  2  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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
 19  2  1  0  0  0  0 
 12 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  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 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 32 34  2  0  0  0  0 
 24 18  1  0  0  0  0 
 13 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  35  36 
M  SBL   1  1  37 
M  SMT   1 OCH3 
M  SBV   1 37   -8.1818    4.1307 
S  SKP  8 
ID	FL1C3CGS0016 
KNApSAcK_ID	C00007907 
NAME	Okanin 4-methyl ether 4'-(6''-acetylglucoside) 
CAS_RN	142628-33-9 
FORMULA	C24H26O12 
EXACTMASS	506.142426296 
AVERAGEMASS	506.45604 
SMILES	C(C1O)(C(COC(C)=O)OC(Oc(c2)c(O)c(O)c(C(C=Cc(c3)cc(c(OC)c3)O)=O)c2)C1O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox