Mol:FL3FAAGS0016
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 |
| − | 0.1360 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1360 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1360 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1360 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8370 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8370 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5380 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5380 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5380 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5380 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8370 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8370 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2390 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2390 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9401 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9401 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9401 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9401 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2390 0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2390 0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2390 -2.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2390 -2.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6408 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6408 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3553 -0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3553 -0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0698 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0698 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0698 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0698 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3553 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3553 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6408 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6408 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5648 0.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5648 0.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8370 -2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8370 -2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7841 1.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7841 1.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2215 0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2215 0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7016 -0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7016 -0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9531 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9531 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2308 -0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2308 -0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7557 0.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7557 0.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5203 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5203 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8838 -0.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8838 -0.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3869 -0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3869 -0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3166 -0.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3166 -0.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9133 0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9133 0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1824 1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1824 1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7853 1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7853 1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2636 1.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2636 1.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4863 0.9197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4863 0.9197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6834 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6834 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6778 0.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6778 0.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7853 1.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7853 1.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1824 2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1824 2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2636 2.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2636 2.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7841 1.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7841 1.4021 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 |
| − | 15 20 1 0 0 0 0 | + | 15 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 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 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 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 30 1 0 0 0 0 | + | 36 30 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 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 0.0000 -0.9059 | + | M SBV 1 44 0.0000 -0.9059 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0016 | + | ID FL3FAAGS0016 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C(O)1)OC(COC(C(O)2)OC(CO)C2O)C(O)C1O | + | SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C(O)1)OC(COC(C(O)2)OC(CO)C2O)C(O)C1O |
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
0.1360 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1360 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8370 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8370 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2390 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9401 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9401 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2390 0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2390 -2.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6408 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3553 -0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0698 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0698 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3553 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6408 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5648 0.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8370 -2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7841 1.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2215 0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7016 -0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9531 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2308 -0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7557 0.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5203 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8838 -0.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3869 -0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3166 -0.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9133 0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1824 1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7853 1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2636 1.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4863 0.9197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6834 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6778 0.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7853 1.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1824 2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2636 2.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7841 1.4021 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
15 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
24 18 1 0 0 0 0
26 30 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 31 1 0 0 0 0
35 36 1 0 0 0 0
36 30 1 0 0 0 0
32 37 1 0 0 0 0
31 38 1 0 0 0 0
39 40 1 0 0 0 0
33 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 0.0000 -0.9059
S SKP 5
ID FL3FAAGS0016
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C(O)1)OC(COC(C(O)2)OC(CO)C2O)C(O)C1O
M END
