Mol:FL5FECNS0035

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

FL5FECNS0035.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.2410   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7971    0.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502   -1.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7162   -1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6742    0.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -2.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9555   -0.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9474   -0.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8322    2.6051    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
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  27  28
M  SBL   5  1  29
M  SMT   5  OCH3
M  SVB   5 29    1.3907    1.7079
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  25  26
M  SBL   4  1  27
M  SMT   4  OCH3
M  SVB   4 27   -2.9555   -0.7222
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25   -2.1212   -1.2954
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23     2.241    1.1317
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21     0.183   -1.0199
S  SKP  8
ID	FL5FECNS0035
KNApSAcK_ID	C00004711
NAME	Quercetagetin 3,5,6,3',4'-pentamethyl ether;7-Hydroxy-3,5,6,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-7-hydroxy-3,5,6-trimethoxy-4H-1-benzopyran-4-one
CAS_RN	57393-68-7
FORMULA	C20H20O8
EXACTMASS	388.11581761599996
AVERAGEMASS	388.368
SMILES	c(c1)c(OC)c(cc1C(O2)=C(C(c(c3OC)c2cc(c3OC)O)=O)OC)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox