Mol:FL2FA8GS0004

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL2FA8GS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -0.5553   -0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1573    0.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5521   -1.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1646   -1.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8773   -1.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8736   -0.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5936   -1.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3062   -1.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3025   -0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5863    0.2181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9563    0.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6724   -0.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3852    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3821    1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6660    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9531    1.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5946   -2.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1808    0.1572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1646   -2.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6724   -0.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6660    2.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9020    0.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4894   -0.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6911   -0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8976   -0.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3102    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1086    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2655    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7454    0.9288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3852   -0.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9381   -0.1630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8626   -0.8529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  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  2  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  6  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  4 19  1  0  0  0  0 
 12 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 18  1  0  0  0  0 
S  SKP  8 
ID	FL2FA8GS0004 
KNApSAcK_ID	C00014332 
NAME	5,7,2',5'-Tetrahydroxyflavanone 7-glucoside;Coccinoside B 
CAS_RN	146555-77-3 
FORMULA	C21H22O11 
EXACTMASS	450.116211546 
AVERAGEMASS	450.39278 
SMILES	c(O)(c1)ccc(c1C(C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox