Mol:FL3FAACS0050
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6652 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6652 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6652 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6652 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9508 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9508 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2363 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2363 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2363 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2363 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9508 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9508 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4782 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4782 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1926 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1926 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1926 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1926 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4782 -0.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4782 -0.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4782 -2.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4782 -2.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3794 -0.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3794 -0.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9508 -3.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9508 -3.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9862 -0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9862 -0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7392 -1.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7392 -1.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4920 -0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4920 -0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4920 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4920 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7392 0.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7392 0.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9862 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9862 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2444 0.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2444 0.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6682 2.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6682 2.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4460 1.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 1.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1160 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1160 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1072 0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1072 0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5121 0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5121 0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9039 1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9039 1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0915 3.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0915 3.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4460 2.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 2.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6249 0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6249 0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0410 -1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0410 -1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5643 -2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5643 -2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8778 -2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8778 -2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2155 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2155 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6967 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6967 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2973 -1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2973 -1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8554 -1.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8554 -1.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2444 -2.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2444 -2.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4530 -2.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4530 -2.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2760 1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2760 1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3662 2.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3662 2.3736 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 13 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 2 1 0 0 0 0 | + | 33 2 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 26 39 1 0 0 0 0 | + | 26 39 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 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 44 -0.6279 0.1682 | + | M SBV 1 44 -0.6279 0.1682 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0050 | + | ID FL3FAACS0050 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O | + | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.6652 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6652 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9508 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2363 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2363 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9508 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4782 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1926 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1926 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4782 -0.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4782 -2.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3794 -0.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9508 -3.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9862 -0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7392 -1.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4920 -0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4920 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7392 0.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9862 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2444 0.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6682 2.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 1.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1160 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1072 0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5121 0.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9039 1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0915 3.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 2.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6249 0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0410 -1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5643 -2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8778 -2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2155 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6967 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2973 -1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8554 -1.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2444 -2.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4530 -2.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2760 1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3662 2.3736 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
1 12 1 0 0 0 0
3 13 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
14 9 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
6 24 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 1 0 0 0 0
39 40 1 0 0 0 0
26 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.6279 0.1682
S SKP 5
ID FL3FAACS0050
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O
M END
