Mol:FLIHFANF0001

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

FLIHFANF0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.5195    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5195    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9632   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9632    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1494   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7057    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7057    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1494    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2618   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2618   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8566   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8566    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2618    1.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1304    0.8859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5080    0.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1304   -0.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1501    0.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4712   -0.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4712    0.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1494   -0.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7567   -1.1691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4712   -1.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6852    1.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487    2.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3996   -0.4367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6852   -0.8492    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  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  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  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  2  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  7 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  0  0  0  0
  3 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  29  30
M  SBL   3  1  32
M  SMT   3  OCH3
M  SVB   3 32   -1.3996   -0.4367
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  27  28
M  SBL   2  1  30
M  SMT   2  OCH3
M  SVB   2 30   -0.6852    1.5816
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28    2.7567   -1.1691
S  SKP  8
ID	FLIHFANF0001
KNApSAcK_ID	C00010045
NAME	Thonningine B
CAS_RN	86989-17-5
FORMULA	C23H20O7
EXACTMASS	408.120902994
AVERAGEMASS	408.40070000000003
SMILES	O(C)c(c1)ccc(C(=C(O)4)C(Oc(c43)c(c(o2)c(c(OC)3)cc(C(C)=C)2)OC)=O)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox