Mol:FL1DQUNP0002

From Metabolomics.JP
Jump to: navigation, search

FL1DQUNP0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
   -1.3421   -0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3421   -0.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8773   -1.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4126   -0.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4126   -0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8773   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8773   -1.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0518   -0.1902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0518   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5151   -0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9783   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4415   -0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9047   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3679   -0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3679   -0.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9047   -0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4415   -0.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0518   -1.7980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7243   -0.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5985    0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2166    0.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8065   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2709   -0.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0842    0.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3463    1.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0844    1.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8702    1.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2709   -0.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5398    0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8311   -0.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8311   -0.1934    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  1  0  0  0  0 
  6  1  1  0  0  0  0 
  3  7  1  0  0  0  0 
  5  8  2  0  0  0  0 
  4  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  9 18  2  0  0  0  0 
  1 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 21 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 19 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 15 31  1  0  0  0  0 
S  SKP  8 
ID	FL1DQUNP0002 
KNApSAcK_ID	C00007986 
NAME	4-Hydroxyglenoblone 
CAS_RN	104406-78-2 
FORMULA	C26H30O5 
EXACTMASS	422.20932407 
AVERAGEMASS	422.5134 
SMILES	C(C2=1)(CC=C(C)C)(C(C(C(CCc(c3)ccc(O)c3)=O)=C(O)C1C=CC(C)(C)O2)=O)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox