Mol:FL2FA9GM0004

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

FL2FA9GM0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 42 45  0  0  0  0  0  0  0  0999 V2000
    1.4601    0.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1727    0.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4633   -0.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1801   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8927   -0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090   -1.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3216   -0.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3180    0.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017    0.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9717    0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6878    0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4007    0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3975    1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6814    1.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6101   -1.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8346    0.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1801   -1.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7661   -1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1727    1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0516    0.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6390   -0.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8407    0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0472   -0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4597    0.6663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2581    0.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4151    1.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2085    1.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5348    0.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0877    0.2283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121   -0.4616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483    1.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483    0.4916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5891    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3370    0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9977    0.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8313    0.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0056    1.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7720    0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7720    0.3089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4007    1.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  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  2  1  0  0  0  0
  5  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  6  1  0  0  0  0
  9 11  1  6  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
  4 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 18  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
S  SKP  8
ID	FL2FA9GM0004
KNApSAcK_ID	C00014353
NAME	Matteuorienate B; Matterionate B;5,7-Dihydroxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside]
CAS_RN	161161-69-9
FORMULA	C29H34O13
EXACTMASS	590.199941174
AVERAGEMASS	590.57246
SMILES	c(c1C(C4)Oc(c2C4=O)c(C)c(OC(C(O)3)OC(C(O)C3O)COC(=O)CC(C)(O)CC(O)=O)c(C)c(O)2)cccc1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox