Mol:FLIDWXNS0007

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

FLIDWXNS0007.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.2825    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262   -0.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136   -0.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.1284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -0.8428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762   -1.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907   -1.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883   -0.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883   -0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    1.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399    2.2919    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0
  8  9  1  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  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 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  6 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26   -2.6398    1.4259
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    1.9253   -1.0493
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22    0.6762    -1.358
S  SKP  8
ID	FLIDWXNS0007
KNApSAcK_ID	C00009699
NAME	Bryacarpene 4;4-Hydroxy-3,9,10-trimethoxypterocarpene
CAS_RN	55306-16-6
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	c(c4OC)(OC)ccc(c34)c(c(o3)1)COc(c(O)2)c1ccc2OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox