Mol:FL5FABGI0001

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

FL5FABGI0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 37 40  0  0  0  0  0  0  0  0999 V2000
   -2.3972    0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3972   -0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8409   -0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846   -0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846    0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8409    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283   -0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720   -0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720    0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283    0.7860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283   -0.9996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3841    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511    0.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180    0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180    1.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511    1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3841    1.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8409   -1.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3841   -0.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0081    0.6633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8409    1.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3970    1.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3970    2.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531    2.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8409    2.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0104   -2.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8110   -1.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0104   -0.7475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5814   -1.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518   -1.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5435   -2.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8588   -2.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312   -1.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2937    1.8204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081    1.4079    0.0000 C   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
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
  1 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 31 26  1  1  0  0  0
 31 32  1  0  0  0  0
 26 33  1  0  0  0  0
 27 34  1  0  0  0  0
 28 35  1  0  0  0  0
 30 19  1  0  0  0  0
 15 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  36  37
M  SBL   1  1  39
M  SMT   1 OCH3
M  SBV   1 39   -5.7012    5.0934
S  SKP  8
ID	FL5FABGI0001
KNApSAcK_ID	C00005818
NAME	Icariside II;Baohuoside 1;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN	113558-15-9
FORMULA	C27H30O10
EXACTMASS	514.18389718
AVERAGEMASS	514.5211
SMILES	O(c(c4)ccc(c4)C(=C2OC(C(O)3)OC(C)C(C(O)3)O)Oc(c1CC=C(C)C)c(C(=O)2)c(cc(O)1)O)C
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox