Mol:FL5FADGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6406 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6406 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6406 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6406 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9262 -1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9262 -1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2117 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2117 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2117 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2117 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9262 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9262 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5027 -1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5027 -1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2172 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2172 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2172 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2172 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5027 0.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5027 0.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5027 -2.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5027 -2.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9314 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9314 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6596 -0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6596 -0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3878 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3878 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3878 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3878 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6596 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6596 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9314 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9314 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3548 0.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3548 0.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9301 -2.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9301 -2.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9734 1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9734 1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9314 -1.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9314 -1.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8015 -2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8015 -2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2333 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2333 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4151 -2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4151 -2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6256 -2.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6256 -2.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1993 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1993 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9152 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9152 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6641 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6641 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9734 -2.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9734 -2.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7181 -3.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7181 -3.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2969 -1.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2969 -1.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2970 -2.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2970 -2.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6596 2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6596 2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2265 3.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2265 3.2526 0.0000 C 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 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 16 33 1 0 0 0 0 | + | 16 33 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 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 35 0.3817 -1.0942 | + | M SBV 1 35 0.3817 -1.0942 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 37 0.0000 -0.7543 | + | M SBV 2 37 0.0000 -0.7543 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0006 | + | ID FL5FADGS0006 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(OC(C(O)3)OC(CO)C(C3O)O)cc2O)C | + | SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(OC(C(O)3)OC(CO)C(C3O)O)cc2O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.6406 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6406 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9262 -1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2117 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2117 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9262 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5027 -1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2172 -1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2172 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5027 0.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5027 -2.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9314 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6596 -0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3878 0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3878 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6596 1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9314 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3548 0.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9301 -2.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9734 1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9314 -1.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8015 -2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2333 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4151 -2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6256 -2.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1993 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9152 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6641 -1.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9734 -2.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7181 -3.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2969 -1.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2970 -2.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6596 2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2265 3.2526 0.0000 C 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
20 15 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
31 32 1 0 0 0 0
27 31 1 0 0 0 0
33 34 1 0 0 0 0
16 33 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 ^ CH2OH
M SBV 1 35 0.3817 -1.0942
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 0.0000 -0.7543
S SKP 5
ID FL5FADGS0006
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(OC(C(O)3)OC(CO)C(C3O)O)cc2O)C
M END
