Mol:FLIA1CNP0001

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

FLIA1CNP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 30  0  0  0  0  0  0  0  0999 V2000
   -1.7104    0.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7104   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541   -0.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5978   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5978    0.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541    0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0415   -0.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148    0.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0415    0.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0709   -0.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0709   -1.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656   -1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2604   -1.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2604   -0.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656   -0.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0415   -1.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673    0.8853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541    1.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7104    1.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667    1.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4223    2.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -2.0689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915   -2.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708   -1.5132    0.0000 O   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
  8 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
  1 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 14  1  0  0  0  0
S  SKP  8
ID	FLIA1CNP0001
KNApSAcK_ID	C00009438
NAME	Calopogoniumisoflavone B;6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]isoflavone
CAS_RN	62502-14-1
FORMULA	C21H16O5
EXACTMASS	348.099773622
AVERAGEMASS	348.34874
SMILES	O(C1)c(c2)c(ccc(C(C(=O)5)=COc(c54)c(c(cc4)3)C=CC(C)(C)O3)2)O1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox