Mol:FL3FECNS0002

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

FL3FECNS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.6513   -0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399   -0.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3715   -0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6429    0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    0.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3631    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6346    0.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745    0.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5198   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2663    1.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859    1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7614    1.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847    2.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675    2.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5429    1.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2910   -0.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4685   -1.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936   -0.8818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540    3.0349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1330    4.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910    2.7585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2973    3.1812    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
  3 19  1  0  0  0  0
  2 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     2.241    1.1662
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    1.3907    1.7424
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   -2.9555   -0.6877
S  SKP  8
ID	FL3FECNS0002
KNApSAcK_ID	C00003845
NAME	Eupatilin;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
CAS_RN	22368-21-4
FORMULA	C18H16O7
EXACTMASS	344.089602866
AVERAGEMASS	344.31543999999997
SMILES	c(c1OC)(O)cc(O2)c(C(=O)C=C2c(c3)cc(OC)c(OC)c3)c1O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox