Mol:FL3FEANSS002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1270 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1270 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1270 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1270 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4125 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4125 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3020 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3020 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3020 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3020 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4125 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4125 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8413 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8413 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5558 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5558 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5558 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5558 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8413 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8413 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7308 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7308 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4453 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4453 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4453 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4453 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7308 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7308 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0164 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0164 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4125 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4125 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2703 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2703 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2703 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2703 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8413 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8413 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1598 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1598 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9848 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9848 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3348 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3348 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9848 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9848 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1598 2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1598 2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1598 1.8562 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1598 1.8562 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 2 1 0 0 0 0 | + | 11 2 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 7 1 0 0 0 0 | + | 16 7 1 0 0 0 0 |
| − | 3 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 9 18 1 0 0 0 0 | + | 9 18 1 0 0 0 0 |
| − | 10 19 1 0 0 0 0 | + | 10 19 1 0 0 0 0 |
| − | 11 20 1 0 0 0 0 | + | 11 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 26 23 2 0 0 0 0 | + | 26 23 2 0 0 0 0 |
| − | 26 24 2 0 0 0 0 | + | 26 24 2 0 0 0 0 |
| − | 26 25 1 0 0 0 0 | + | 26 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEANSS002 | + | ID FL3FEANSS002 |
| − | KNApSAcK_ID C00010273 | + | KNApSAcK_ID C00010273 |
| − | NAME Hispidulin 4'-sulfate | + | NAME Hispidulin 4'-sulfate |
| − | CAS_RN 111534-78-2 | + | CAS_RN 111534-78-2 |
| − | FORMULA C16H12O9S | + | FORMULA C16H12O9S |
| − | EXACTMASS 380.020202672 | + | EXACTMASS 380.020202672 |
| − | AVERAGEMASS 380.32708 | + | AVERAGEMASS 380.32708 |
| − | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)ccc(c1)OS(O)(=O)=O | + | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)ccc(c1)OS(O)(=O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.1270 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8413 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5558 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5558 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8413 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7308 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4453 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4453 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7308 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2703 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2703 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8413 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1598 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9848 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3348 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9848 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1598 2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1598 1.8562 0.0000 S 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 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
5 7 1 0 0 0 0
1 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 2 1 0 0 0 0
7 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 7 1 0 0 0 0
3 17 2 0 0 0 0
9 18 1 0 0 0 0
10 19 1 0 0 0 0
11 20 1 0 0 0 0
14 21 1 0 0 0 0
19 22 1 0 0 0 0
26 23 2 0 0 0 0
26 24 2 0 0 0 0
26 25 1 0 0 0 0
21 26 1 0 0 0 0
S SKP 8
ID FL3FEANSS002
KNApSAcK_ID C00010273
NAME Hispidulin 4'-sulfate
CAS_RN 111534-78-2
FORMULA C16H12O9S
EXACTMASS 380.020202672
AVERAGEMASS 380.32708
SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)ccc(c1)OS(O)(=O)=O
M END
