Mol:FL5F1CNP0001

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

FL5F1CNP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 32  0  0  0  0  0  0  0  0999 V2000
   -1.9052   -0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052   -0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489   -1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7926   -0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7926   -0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489    0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363   -1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200   -0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200   -0.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363    0.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363   -1.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431   -0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    0.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    1.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761    0.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489    0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052    1.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615    0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615    0.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0176    1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327    0.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0176    0.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327    1.1074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860   -1.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520   -1.7130    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 21  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
  8 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  31
M  SMT   1  OCH3
M  SVB   1 31    0.5189   -0.9193
S  SKP  8
ID	FL5F1CNP0001
KNApSAcK_ID	C00005082
NAME	Pongachromene;3-Methoxy-8,8-dimethyl-2-[3,4-(methylenedioxy)phenyl]-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN	22037-31-6
FORMULA	C22H18O6
EXACTMASS	378.110338308
AVERAGEMASS	378.37472
SMILES	c(c54)c(ccc4OCO5)C(=C1OC)Oc(c32)c(ccc2OC(C=C3)(C)C)C1=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox