Mol:FL631GNC0001

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

FL631GNC0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.4428    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936    0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936    0.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920    0.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920    0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411   -0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2097    0.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2097    0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8423    1.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    0.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770    1.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9769    1.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    2.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8423    1.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5438    0.9996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4428   -0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438    2.1470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3547   -0.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    2.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9120   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9120   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3547   -2.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2026   -1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2026   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4684   -0.8728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7694   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3547   -2.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7598   -0.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3281   -1.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4693   -2.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438    0.8374    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
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  6  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
  2 16  1  0  0  0  0
  3 17  2  0  0  0  0
 17  4  1  0  0  0  0
 13 18  1  0  0  0  0
  6 19  1  1  0  0  0
 14 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 21 26  1  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
  7 29  1  1  0  0  0
 27 29  1  0  0  0  0
 27 30  2  0  0  0  0
 22 31  1  0  0  0  0
 12 32  1  0  0  0  0
S  SKP  8
ID	FL631GNC0001
KNApSAcK_ID	C00009323
NAME	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
CAS_RN	126655-08-1
FORMULA	C22H16O10
EXACTMASS	440.074346732
AVERAGEMASS	440.35644
SMILES	c(c(O)5)c(c1cc5)OC(c(c4)cc(O)c(O)c(O)4)C(O3)C(c(c2O)c(C(=O)3)cc(O)c2O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox