Mol:FL2FABGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9992 -1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9992 -1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2848 -1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2848 -1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5703 -1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5703 -1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5703 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5703 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2848 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2848 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9992 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9992 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1440 -1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1440 -1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8584 -1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8584 -1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8584 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8584 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1440 0.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1440 0.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1440 -2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1440 -2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2848 -2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2848 -2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6942 0.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6942 0.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6535 0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6535 0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3787 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3787 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1040 0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1040 0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1040 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1040 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3787 1.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3787 1.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6535 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6535 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1607 0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1607 0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4402 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4402 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6688 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6688 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4402 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4402 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1607 1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1607 1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9322 1.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9322 1.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8441 2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8441 2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4402 1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4402 1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5801 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5801 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8090 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8090 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8291 1.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8291 1.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8090 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8090 0.7891 0.0000 C 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 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 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 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 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 20 1 1 0 0 0 | + | 25 20 1 1 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | 21 13 1 0 0 0 0 | + | 21 13 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -0.7252 -0.4187 | + | M SBV 1 34 -0.7252 -0.4187 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FABGS0007 | + | ID FL2FABGS0007 |
| − | FORMULA C22H24O9 | + | FORMULA C22H24O9 |
| − | EXACTMASS 432.14203236599997 | + | EXACTMASS 432.14203236599997 |
| − | AVERAGEMASS 432.42056 | + | AVERAGEMASS 432.42056 |
| − | SMILES c(c1C(O2)CC(c(c4O)c(cc(c4)OC(C3O)OC(C(O)C3O)C)2)=O)cc(OC)cc1 | + | SMILES c(c1C(O2)CC(c(c4O)c(cc(c4)OC(C3O)OC(C(O)C3O)C)2)=O)cc(OC)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.9992 -1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 -1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5703 -1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5703 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9992 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1440 -1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8584 -1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8584 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1440 0.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1440 -2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2848 -2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6942 0.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6535 0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3787 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1040 0.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1040 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3787 1.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6535 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1607 0.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4402 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6688 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4402 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1607 1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9322 1.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8441 2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4402 1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5801 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8090 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8291 1.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8090 0.7891 0.0000 C 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 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
9 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
25 28 1 0 0 0 0
20 29 1 0 0 0 0
21 13 1 0 0 0 0
30 31 1 0 0 0 0
17 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -0.7252 -0.4187
S SKP 5
ID FL2FABGS0007
FORMULA C22H24O9
EXACTMASS 432.14203236599997
AVERAGEMASS 432.42056
SMILES c(c1C(O2)CC(c(c4O)c(cc(c4)OC(C3O)OC(C(O)C3O)C)2)=O)cc(OC)cc1
M END
