Mol:FL2FA9NC0015

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

FL2FA9NC0015.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 39 44  0  0  0  0  0  0  0  0999 V2000
   -1.7549   -1.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0423   -1.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517   -2.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0349   -3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3223   -2.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3260   -1.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3940   -3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1066   -2.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030   -1.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3867   -1.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567   -1.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4728   -1.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1857   -1.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825   -0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4664   -0.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7536   -0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3951   -3.7955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0338   -3.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0436   -0.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7576   -0.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4689   -1.5110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3321   -0.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3335    0.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0464    0.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7590    0.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730    0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1857    0.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1843   -0.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835   -1.0593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2618    0.4063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1691    1.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6226    1.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8176    2.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093    2.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8043    3.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    3.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4158    3.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2209    2.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  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  2  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  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
  4 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 21  1  0  0  0  0
 21 30  2  0  0  0  0
 24 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
S  SKP  8
ID	FL2FA9NC0015
KNApSAcK_ID	C00014298
NAME	Kurziflavolactone B;(2R,12S,14S,16S)-rel-(-)-2,3,9,10,11,12,15,16-Octahydro-5,14-dihydroxy-2-phenyl-14-[(1E)-2-phenylethenyl]-2,16-methano-4H,8H,14H-pyrano[2,3-l][1,7]benzodioxacyclododecin-4,8-dione
CAS_RN	150852-76-9
FORMULA	C32H30O7
EXACTMASS	526.199153314
AVERAGEMASS	526.5764
SMILES	OC(C2)(OC(C6)CC2c(c(OC(=O)CC6)3)c(O4)c(C(=O)CC(c(c5)cccc5)4)c(O)c3)C=Cc(c1)cccc1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox