Mol:FLIFWYNM0002

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

FLIFWYNM0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.7073    0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7073   -0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5947   -0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5947    0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510    0.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0384   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5179   -0.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5179    0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0384    0.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0740   -0.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0740   -1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6688   -1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2636   -1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2636   -0.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6688   -0.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0740    0.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0384   -1.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752    0.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2636    0.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510   -1.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2634   -0.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4114    1.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1259    1.0485    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
  8 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
  9 17  1  0  0  0  0
  7 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 17  1  0  0  0  0
 20  1  1  0  0  0  0
  3 21  1  0  0  0  0
  2 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  26
M  SMT   1 OCH3
M  SBV   1 26   -5.3464    4.5843
S  SKP  8
ID	FLIFWYNM0002
KNApSAcK_ID	C00009990
NAME	Boeravinone A;6a,12a-Dehydro-9,11-dihydroxy-6-methoxy-10-methylrotenone
CAS_RN	114567-33-8
FORMULA	C18H14O6
EXACTMASS	326.07903818
AVERAGEMASS	326.30016
SMILES	c(c1O)(C)c(O)cc(O2)c1C(C(c34)=C2C(OC)Oc3cccc4)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox