Mol:FL2FCFNM0001

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

FL2FCFNM0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.2456   -0.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7247   -1.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2038   -0.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2038   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7247    0.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2456   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6829   -1.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.1273    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6829    0.1734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3583    0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6829   -1.5534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8927   -0.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    0.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8927    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3583    0.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7247   -1.6304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750   -0.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6028    0.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1028    1.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992    1.6304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4612    2.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270    0.7901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4270    0.7901    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
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    1.9605    1.0981
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    1.0992    1.6304
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.6028    0.4914
S  SKP  8
ID	FL2FCFNM0001
KNApSAcK_ID	C00008488
NAME	5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone
CAS_RN	151649-33-1
FORMULA	C19H20O6
EXACTMASS	344.125988372
AVERAGEMASS	344.3585
SMILES	O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)C)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox