Mol:FL3FABGS0013

From Metabolomics.JP
Jump to: navigation, search

FL3FABGS0013.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
   -0.2634   -0.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2634   -0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1877   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6387   -0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6387   -0.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1877   -0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0898   -1.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5409   -0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5409   -0.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0898   -0.0893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0898   -1.5371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9918   -0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4515   -0.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9112   -0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9112    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4515    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9918    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1877   -1.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0309    0.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4443   -0.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9714   -0.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2906   -0.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6336   -0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1110   -0.0601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7067   -0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0988   -0.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7085   -0.8454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9004   -1.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2157    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2157    0.6304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7775    0.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3236    0.6394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7775    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6092    0.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3236    0.3268    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 
 18  3  1  0  0  0  0 
 19  1  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 19  1  0  0  0  0 
 25 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
 15 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  34  35 
M  SBL   1  1  37 
M  SMT   1 OCH3 
M  SBV   1 37   -7.0646    4.8464 
S  SKP  8 
ID	FL3FABGS0013 
KNApSAcK_ID	C00004245 
NAME	Acacetin 7-(6''-acetylglucoside) 
CAS_RN	76410-61-2 
FORMULA	C24H24O11 
EXACTMASS	488.13186161 
AVERAGEMASS	488.44076 
SMILES	Oc(c1)c(C(=O)4)c(OC(=C4)c(c3)ccc(c3)OC)cc1OC(C2O)OC(COC(C)=O)C(C2O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox