Mol:FL3FAAGS0058

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

FL3FAAGS0058.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 42 46  0  0  0  0  0  0  0  0999 V2000
    0.3853    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853   -0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998   -1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8142   -0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8142    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998    0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5287   -1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2432   -0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2432    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5287    0.6096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9576    0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6721    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3866    0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3866    1.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6721    1.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9576    1.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5287   -1.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998   -1.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3292    0.6096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1329    1.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503    0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3440   -0.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5817    0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7646    0.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2709    0.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2537    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6794    1.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2280    0.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392   -0.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1445   -0.3697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7552   -0.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2489   -0.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4866   -0.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6695   -0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1758    0.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9382   -0.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1587    0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5844    0.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1329   -0.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6442   -0.6348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0494   -0.9309    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
  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
  9 11  1  0  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  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
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 32 40  1  0  0  0  0
 33 41  1  0  0  0  0
 34 42  1  0  0  0  0
 35 29  1  0  0  0  0
 19 24  1  0  0  0  0
S  SKP  8
ID	FL3FAAGS0058
KNApSAcK_ID	C00013608
NAME	Apigenin 7-cellobioside;5,7,4'-Trihydroxyflavone 7-cellobioside;7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	211096-97-8
FORMULA	C27H30O15
EXACTMASS	594.15847029
AVERAGEMASS	594.5181
SMILES	C(C=4)(=O)c(c(OC4c(c5)ccc(c5)O)3)c(O)cc(c3)OC(O1)C(C(O)C(OC(O2)C(O)C(O)C(O)C2CO)C1CO)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox