Mol:FL3FACGS0057

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

FL3FACGS0057.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 46 50  0  0  0  0  0  0  0  0999 V2000
    0.8540    0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8540    0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3051   -0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7562    0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7562    0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3051    0.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2072   -0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2072    0.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2072   -0.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1092    0.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689    0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0286    0.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0286    1.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689    1.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1092    1.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    0.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3051   -0.7633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    1.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689    2.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5837    0.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0681    0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256    0.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6091    0.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1297    0.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882    0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1602    0.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8719    0.1082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9001   -0.2781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6207   -1.5971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312   -1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3156   -1.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5731   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8566   -1.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3772   -0.8711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1357   -1.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476   -2.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7324   -0.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4357   -0.7351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0198   -0.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6230   -0.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0198    0.1166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326   -2.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1837    1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4693    1.0871    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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
 18  1  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 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
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  1  0  0  0
 35 34  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 34 38  1  0  0  0  0
 31 32  1  0  0  0  0
 35 30  1  0  0  0  0
 25 18  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
 33 44  1  0  0  0  0
 27 45  1  0  0  0  0
 45 46  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  45  46
M  SBL   1  1  49
M  SMT   1 ^CH2OH
M  SBV   1 49   -5.9507    7.0478
S  SKP  8
ID	FL3FACGS0057
KNApSAcK_ID	C00004318
NAME	Luteolin 7-(6'''-acetylallosyl-(1->2)-glucoside)
CAS_RN	135649-96-6
FORMULA	C29H32O17
EXACTMASS	652.163949598
AVERAGEMASS	652.55418
SMILES	O(CC(O1)C(C(C(C1OC(C5O)C(OC(C5O)CO)Oc(c2)cc(O3)c(C(C=C(c(c4)ccc(O)c4O)3)=O)c2O)O)O)O)C(C)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox