Mol:FL5FCAGS0007

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

FL5FCAGS0007.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
    0.0068    1.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212    0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4357    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4357    1.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212    1.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7077    0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    0.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1366    0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1366   -0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222   -1.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7077   -0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8511    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5656    0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5656   -0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8511   -1.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222   -1.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2801    0.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0301   -1.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0364    1.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8511   -1.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0127    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2825    1.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6149    1.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4321    1.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0763    0.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7440    1.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9268    1.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6834    1.5731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    1.3444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0127    0.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6434    0.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006   -0.1134    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
  5 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
 24 20  1  0  0  0  0
S  SKP  8
ID	FL5FCAGS0007
KNApSAcK_ID	C00013810
NAME	Kaempferol 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS_RN	178402-89-6
FORMULA	C22H22O11
EXACTMASS	462.116211546
AVERAGEMASS	462.40348000000006
SMILES	C(=C2c(c4)ccc(c4)OC(C(O)3)OC(CO)C(O)C3O)(C(c(c(O2)1)c(cc(c1)OC)O)=O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox