Mol:FL2FGANS0004

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

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

FL2FGANS0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.4434    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7289   -0.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0144   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0144    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7289    0.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4145   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4145    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    0.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6020    0.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6020    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7289   -1.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1045    0.7199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7511    0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2315    1.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4003   -2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0795   -0.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6908   -0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7289    1.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3935    1.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7511    1.6646    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 27  1  0  0  0  0
S  SKP  8
ID	FL2FGANS0004
KNApSAcK_ID	C00014136
NAME	(2S)-5,6,7,8,4'-Pentamethoxyflavanone
CAS_RN	377090-32-9
FORMULA	C20H22O7
EXACTMASS	374.136553058
AVERAGEMASS	374.38448000000005
SMILES	O(C)c(c31)c(c(c(OC)c(C(=O)CC(O3)c(c2)ccc(OC)c2)1)OC)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox