Mol:FL5F1GNF0001

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

FL5F1GNF0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 31  0  0  0  0  0  0  0  0999 V2000
   -2.2227   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2227   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6664   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1101   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1101   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6664    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5538   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5538    0.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5538   -1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1256   -0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6926    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6926    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1256    1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7999    0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4388    0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    0.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152   -0.0887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    0.9706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8664    1.6831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8685   -1.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7345   -1.8498    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
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20  1  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  26  27
M  SBL   2  1  30
M  SMT   2  OCH3
M  SVB   2 30    0.2014    -1.056
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28     1.409    1.6718
S  SKP  8
ID	FL5F1GNF0001
KNApSAcK_ID	C00005093
NAME	3'-Methoxypongapin
CAS_RN	60077-58-9
FORMULA	C20H14O7
EXACTMASS	366.073952802
AVERAGEMASS	366.32096
SMILES	COc(c54)cc(cc(OCO5)4)C(O3)=C(C(=O)c(c31)ccc(o2)c1cc2)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox