Mol:FL4DACNC0002

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

FL4DACNC0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.3779   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571   -1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362   -0.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571    0.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3779   -0.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1847   -1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056   -0.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1847    0.0244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1847   -1.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571   -1.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    0.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8116   -0.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3335    0.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3335    0.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8116    0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897    0.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -1.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8551    0.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8847    0.0162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8116    1.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571    0.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3774    0.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3774    1.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8703    1.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3633    1.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3633    0.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8703    0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8551    1.7788    0.0000 O   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  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  7 11  2  0  0  0  0
  2 12  1  0  0  0  0
  9 13  1  6  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  8 19  1  1  0  0  0
 16 20  1  0  0  0  0
  6 21  1  0  0  0  0
 17 22  1  0  0  0  0
  5 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
S  SKP  8
ID	FL4DACNC0002
KNApSAcK_ID	C00008660
NAME	Gericudranin B
CAS_RN	169592-16-9
FORMULA	C22H18O8
EXACTMASS	410.100167552
AVERAGEMASS	410.37352000000004
SMILES	C(C3O)(=O)c(c(O)2)c(OC3c(c4)ccc(c4O)O)c(c(c2)O)Cc(c1)ccc(c1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox