Mol:FL3FAACS0051
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.2210 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2210 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2210 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2210 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5065 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5065 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2079 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2079 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2079 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2079 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5065 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5065 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9223 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9223 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6369 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6369 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6369 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6369 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9223 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9223 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9237 -2.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9237 -2.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5065 -2.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5065 -2.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5099 0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5099 0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2627 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2627 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0156 0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0156 0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0156 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0156 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2627 1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2627 1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5099 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5099 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7680 1.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7680 1.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1081 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1081 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4460 -1.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4460 -1.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7838 -1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7838 -1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8832 -1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8832 -1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5189 -0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5189 -0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2341 -1.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2341 -1.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7577 -1.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7577 -1.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2696 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2696 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9559 -0.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9559 -0.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0345 -1.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0345 -1.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2896 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2896 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5226 0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5226 0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9799 1.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9799 1.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0364 1.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0364 1.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8034 2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8034 2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3462 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3462 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5463 2.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5463 2.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4968 1.7121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4968 1.7121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8333 0.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8333 0.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7446 -0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7446 -0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7680 -0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7680 -0.5118 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 30 1 1 0 0 0 | + | 35 30 1 1 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 30 38 1 0 0 0 0 | + | 30 38 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 25 39 1 0 0 0 0 | + | 25 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 0.5105 -0.5516 | + | M SBV 1 44 0.5105 -0.5516 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0051 | + | ID FL3FAACS0051 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C(C1O)OC(c(c4O)c(c(c3c4C(O5)C(O)C(O)C(O)C5)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C(C1O)O)O | + | SMILES C(C(C1O)OC(c(c4O)c(c(c3c4C(O5)C(O)C(O)C(O)C5)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C(C1O)O)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
-1.2210 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2210 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5065 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2079 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2079 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5065 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9223 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6369 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6369 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9223 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9237 -2.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5065 -2.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5099 0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2627 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0156 0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0156 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2627 1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5099 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7680 1.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1081 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4460 -1.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7838 -1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8832 -1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5189 -0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2341 -1.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7577 -1.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2696 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9559 -0.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0345 -1.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2896 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5226 0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9799 1.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0364 1.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8034 2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3462 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5463 2.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4968 1.7121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8333 0.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7446 -0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7680 -0.5118 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 29 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
34 36 1 0 0 0 0
35 37 1 0 0 0 0
30 38 1 0 0 0 0
6 31 1 0 0 0 0
39 40 1 0 0 0 0
25 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 0.5105 -0.5516
S SKP 5
ID FL3FAACS0051
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C(C1O)OC(c(c4O)c(c(c3c4C(O5)C(O)C(O)C(O)C5)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C(C1O)O)O
M END
