Mol:FL1CHYNI0002

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

FL1CHYNI0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.6765    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765    0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1202    0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639    0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1202    1.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0076    0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5487    0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048    0.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6609    0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2219    0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7829    0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7829    1.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2219    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6609    1.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0076   -0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048   -0.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2328    0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2328   -0.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7889   -0.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3438   -0.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7889   -1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2326    1.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0078    1.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3438    1.4483    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  9 17  2  0  0  0  0
 18  2  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  1 23  1  0  0  0  0
  5 24  1  0  0  0  0
 13 25  1  0  0  0  0
S  SKP  8
ID	FL1CHYNI0002
KNApSAcK_ID	C00007004
NAME	5'-Prenyllicodione
CAS_RN	107390-47-6
FORMULA	C20H20O5
EXACTMASS	340.13107375
AVERAGEMASS	340.3698
SMILES	c(c1)(C(CC(=O)c(c2)ccc(O)c2)=O)c(cc(O)c1CC=C(C)C)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox