Mol:FL4DABGS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0118 -1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0118 -1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2974 -1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2974 -1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5829 -1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5829 -1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5829 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5829 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2974 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2974 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0118 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0118 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1315 -1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1315 -1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8460 -1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8460 -1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8460 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8460 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1315 0.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1315 0.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1315 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1315 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6411 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6411 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3662 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3662 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0914 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0914 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0914 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0914 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3662 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3662 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6411 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6411 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6298 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6298 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6340 -1.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6340 -1.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0670 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0670 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3467 -0.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3467 -0.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5753 0.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5753 0.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3467 1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3467 1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0670 1.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0670 1.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8385 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8385 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7698 2.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7698 2.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3453 2.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3453 2.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5250 1.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5250 1.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7965 0.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7965 0.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2974 -2.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2974 -2.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8165 1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8165 1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7965 0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7965 0.7153 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 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 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 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -0.7251 -0.4186 | + | M SBV 1 35 -0.7251 -0.4186 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DABGS0001 | + | ID FL4DABGS0001 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES O(C)c(c1)ccc(C(C4O)Oc(c2)c(C4=O)c(cc2OC(C3O)OC(C(O)C3O)C)O)c1 | + | SMILES O(C)c(c1)ccc(C(C4O)Oc(c2)c(C4=O)c(cc2OC(C3O)OC(C(O)C3O)C)O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.0118 -1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2974 -1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5829 -1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5829 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2974 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0118 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1315 -1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8460 -1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8460 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1315 0.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1315 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6411 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3662 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0914 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0914 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3662 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6411 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6298 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6340 -1.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0670 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3467 -0.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5753 0.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3467 1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0670 1.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8385 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7698 2.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3453 2.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5250 1.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7965 0.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2974 -2.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8165 1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7965 0.7153 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
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 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 18 1 0 0 0 0
2 30 1 0 0 0 0
31 32 1 0 0 0 0
15 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -0.7251 -0.4186
S SKP 5
ID FL4DABGS0001
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES O(C)c(c1)ccc(C(C4O)Oc(c2)c(C4=O)c(cc2OC(C3O)OC(C(O)C3O)C)O)c1
M END
