Mol:FLNAA9NP0009

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

FLNAA9NP0009.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.6287    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    1.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4837    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4837    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0604   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6371    0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6371    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0604    1.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287    0.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -0.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0604   -0.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5075   -1.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5075   -1.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0604   -2.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6133   -1.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6133   -1.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2135    1.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287    1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724   -0.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848    1.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7407    0.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848   -0.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2135   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848   -0.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848    1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6598    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1848    2.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7408    0.6780    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  2  0  0  0  0
 10 20  1  0  0  0  0
  1 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23  9  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 19 26  1  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 22 29  1  0  0  0  0
S  SKP  8
ID	FLNAA9NP0009
KNApSAcK_ID	C00010223
NAME	Mesuagin;5-Hydroxy-6'',6''-dimethyl-6-isobutyryl-4-phenylpyrano[2'',3'':7,8]coumarin
CAS_RN	21721-08-4
FORMULA	C24H22O5
EXACTMASS	390.146723814
AVERAGEMASS	390.42848000000004
SMILES	c(c4)c(ccc4)C(c12)=CC(=O)Oc(c(C=3)c(OC(C3)(C)C)c(C(=O)C(C)C)c(O)2)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox