Mol:FL4DACGS0001
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 |
| − | -2.6051 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6051 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8906 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8906 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1763 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1763 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1763 1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1763 1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8906 1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8906 1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6051 1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6051 1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4619 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4619 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2526 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2526 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2526 1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2526 1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4619 1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4619 1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4619 -0.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4619 -0.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0477 1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0477 1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7728 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7728 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4981 1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4981 1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4981 2.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4981 2.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7728 2.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7728 2.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0477 2.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0477 2.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2233 1.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2233 1.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8947 -0.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8947 -0.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8893 -0.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8893 -0.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5792 -2.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5792 -2.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9673 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9673 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9880 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9880 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5447 -0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5447 -0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1217 -1.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1217 -1.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7926 -2.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7926 -2.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7926 -1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7926 -1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7728 3.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7728 3.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2233 2.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2233 2.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8077 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8077 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3140 -3.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3140 -3.5053 0.0000 O 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 |
| − | 2 20 1 0 0 0 0 | + | 2 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 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 16 28 1 0 0 0 0 | + | 16 28 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 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 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 34 1.1596 0.0000 | + | M SBV 1 34 1.1596 0.0000 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0001 | + | ID FL4DACGS0001 |
| − | FORMULA C20H20O11 | + | FORMULA C20H20O11 |
| − | EXACTMASS 436.100561482 | + | EXACTMASS 436.100561482 |
| − | AVERAGEMASS 436.3662 | + | AVERAGEMASS 436.3662 |
| − | SMILES C(O)C(C1O)(COC(OC(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)1)O | + | SMILES C(O)C(C1O)(COC(OC(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)1)O |
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
-2.6051 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1763 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1763 1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6051 1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4619 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2526 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2526 1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4619 1.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4619 -0.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0477 1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7728 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4981 1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4981 2.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7728 2.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0477 2.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2233 1.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8947 -0.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8893 -0.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5792 -2.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9673 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9880 -1.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5447 -0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1217 -1.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7926 -2.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7926 -1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7728 3.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2233 2.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8077 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3140 -3.5053 0.0000 O 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
2 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 21 1 0 0 0 0
22 26 1 0 0 0 0
23 27 1 0 0 0 0
24 19 1 0 0 0 0
16 28 1 0 0 0 0
15 29 1 0 0 0 0
30 31 1 0 0 0 0
22 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 ^ CH2OH
M SBV 1 34 1.1596 0.0000
S SKP 5
ID FL4DACGS0001
FORMULA C20H20O11
EXACTMASS 436.100561482
AVERAGEMASS 436.3662
SMILES C(O)C(C1O)(COC(OC(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)1)O
M END
