Mol:FL5FAGGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.4274 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4274 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4274 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4274 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7129 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7129 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9983 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9983 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9983 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9983 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7129 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7129 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2839 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2839 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5694 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5694 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5694 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5694 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2839 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2839 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2839 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2839 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8552 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8552 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1271 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1271 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6011 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6011 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6011 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6011 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1271 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1271 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8552 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8552 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1415 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1415 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7129 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7129 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8552 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8552 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3512 1.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3512 1.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3290 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3290 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1271 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1271 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5052 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5052 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1189 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1189 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8619 -0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8619 -0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6092 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6092 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9956 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9956 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2527 0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2527 0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8097 0.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8097 0.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7456 0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7456 0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5545 0.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5545 0.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2240 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2240 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1415 -0.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1415 -0.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 25 22 1 0 0 0 0 | + | 25 22 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 37 -0.6148 -0.1036 | + | M SBV 1 37 -0.6148 -0.1036 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0008 | + | ID FL5FAGGS0008 |
| − | FORMULA C21H20O13 | + | FORMULA C21H20O13 |
| − | EXACTMASS 480.090390726 | + | EXACTMASS 480.090390726 |
| − | AVERAGEMASS 480.37569999999994 | + | AVERAGEMASS 480.37569999999994 |
| − | SMILES c(c(O)4)c(O)c(C3=O)c(c4)OC(=C3O)c(c1)cc(OC(O2)C(O)C(O)C(O)C2CO)c(O)c(O)1 | + | SMILES c(c(O)4)c(O)c(C3=O)c(c4)OC(=C3O)c(c1)cc(OC(O2)C(O)C(O)C(O)C2CO)c(O)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-4.4274 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4274 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7129 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9983 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9983 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7129 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2839 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5694 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5694 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2839 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2839 -2.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8552 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1271 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6011 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6011 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1271 1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8552 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1415 0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7129 -2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8552 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3512 1.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3290 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1271 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5052 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1189 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 -0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9956 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2527 0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8097 0.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7456 0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5545 0.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2240 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1415 -0.8119 0.0000 O 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
16 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
24 30 1 0 0 0 0
29 31 1 0 0 0 0
28 32 1 0 0 0 0
25 22 1 0 0 0 0
33 34 1 0 0 0 0
27 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 CH2OH
M SBV 1 37 -0.6148 -0.1036
S SKP 5
ID FL5FAGGS0008
FORMULA C21H20O13
EXACTMASS 480.090390726
AVERAGEMASS 480.37569999999994
SMILES c(c(O)4)c(O)c(C3=O)c(c4)OC(=C3O)c(c1)cc(OC(O2)C(O)C(O)C(O)C2CO)c(O)c(O)1
M END
