Mol:FL5FACGA0033

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

FL5FACGA0033.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 45 49  0  0  0  0  0  0  0  0999 V2000
   -4.5526    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5526   -0.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9963   -0.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4400   -0.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4400    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9963    0.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8837   -0.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3274   -0.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3274    0.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8837    0.9114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8837   -0.8741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7713    0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6374    0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6374    1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043    1.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7713    1.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -0.6024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6339   -0.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0215   -0.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2760   -0.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4739   -0.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8617   -0.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1161   -0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3610   -0.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3850    0.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8617    0.6522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0705    1.8932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9963   -1.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1635    0.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1029   -0.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3255   -1.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030   -1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030   -2.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3997   -1.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043    2.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9496   -1.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4986   -1.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0536   -1.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6086   -1.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6086   -0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0536   -0.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4986   -0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1635   -1.8946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1635   -0.6130    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
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 20 18  1  0  0  0  0
 18  8  1  0  0  0  0
 22 21  1  1  0  0  0
 15 28  1  0  0  0  0
  3 29  1  0  0  0  0
  1 30  1  0  0  0  0
 22 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 16 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 40 44  1  0  0  0  0
 41 45  1  0  0  0  0
S  SKP  8
ID	FL5FACGA0033
KNApSAcK_ID	C00005952
NAME	Quercetin 3-(6''-caffeylgalactoside)
CAS_RN	84575-22-4
FORMULA	C30H26O15
EXACTMASS	626.127170162
AVERAGEMASS	626.51844
SMILES	O(C4COC(=O)C=Cc(c5)ccc(O)c5O)C(C(C(C(O)4)O)O)OC(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)ccc(c(O)1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox