Mol:FL5FACGS0076

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

FL5FACGS0076.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 55 60  0  0  0  0  0  0  0  0999 V2000
    1.1147    4.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    3.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    3.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    3.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    4.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    4.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002    3.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    3.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    3.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    2.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002    2.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    3.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4577    3.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4577    2.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    1.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    0.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1722    3.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    1.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    0.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1355    4.5995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1722    3.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1886   -0.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017   -0.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0397    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7730    0.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9827    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446    0.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0288    0.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5105    0.5466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2093   -0.7070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975   -0.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535   -0.1457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5703   -2.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2422   -2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5965   -1.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812   -1.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4687   -0.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1143   -1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4746   -1.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -1.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0601   -2.2024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4926   -2.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1902   -1.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4261   -3.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3913   -4.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166   -3.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3830   -2.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -2.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2402   -3.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -3.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319   -3.4779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3416   -4.6703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0887   -4.3005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1163   -3.8754    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 19  1  0  0  0  0
 34 35  1  1  0  0  0
 35 36  1  1  0  0  0
 37 36  1  1  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 34 42  1  0  0  0  0
 35 43  1  0  0  0  0
 36 44  1  0  0  0  0
 37 33  1  0  0  0  0
 45 46  1  1  0  0  0
 46 47  1  1  0  0  0
 48 47  1  1  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 45  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 45 53  1  0  0  0  0
 46 54  1  0  0  0  0
 47 55  1  0  0  0  0
 48 44  1  0  0  0  0
S  SKP  8
ID	FL5FACGS0076
KNApSAcK_ID	C00013848
NAME	Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside;3-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS_RN	197250-97-8
FORMULA	C33H40O22
EXACTMASS	788.201122964
AVERAGEMASS	788.6575
SMILES	O(C1OC(C(O)6)C(OC(C6O)CO)OC(=C(c(c5)ccc(O)c5O)3)C(=O)c(c4O)c(cc(O)c4)O3)C(CO)C(O)C(C(OC(O2)C(O)C(O)C(O)C2CO)1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox