Mol:FL5FACNSS011

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

FL5FACNSS011.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 32  0  0  0  0  0  0  0  0999 V2000
    1.8164   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    1.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8164    1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308    1.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308    0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3874   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3271    0.2067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0415   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0415   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3271   -1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3874   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560    0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4705   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4705   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560   -1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3271   -2.1041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1849    0.2067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9864   -1.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560   -2.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227    1.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8163    2.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8536    1.3734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137    1.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8536    2.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8536    0.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8698    0.2067    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5137    0.2067    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8698    0.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8698   -0.3865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  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  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  2  0  0  0  0
S  SKP  8
ID	FL5FACNSS011
KNApSAcK_ID	C00013899
NAME	Quercetin 7,4'-disulfate
CAS_RN	-
FORMULA	C15H10O12S3
EXACTMASS	477.933437854
AVERAGEMASS	478.4307
SMILES	Oc(c1)c(ccc1C(O2)=C(O)C(=O)c(c(O)3)c(cc(c3)OS(=O)(=O)S)2)OS(O)(=O)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox