Mol:FL5FDGGS0001
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 |
| − | -1.4252 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4252 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4252 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4252 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7107 -1.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7107 -1.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0037 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0037 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0037 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0037 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7107 -0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7107 -0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7181 -1.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7181 -1.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4325 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4325 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4325 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4325 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7181 -0.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7181 -0.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7181 -2.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7181 -2.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1467 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1467 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8749 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8749 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6031 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6031 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6031 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6031 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8749 1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8749 1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1467 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1467 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7107 -2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7107 -2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4175 1.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4175 1.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2097 -0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2097 -0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3310 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3310 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8749 2.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8749 2.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7373 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7373 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9304 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9304 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1865 0.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1865 0.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9304 1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9304 1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7373 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7373 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4814 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4814 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4191 2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4191 2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9399 2.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9399 2.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1438 1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1438 1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4175 0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4175 0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1858 -1.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1858 -1.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2979 -2.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2979 -2.3778 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 8 33 1 0 0 0 0 | + | 8 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 37 -0.7532 0.4349 | + | M SBV 1 37 -0.7532 0.4349 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FDGGS0001 | + | ID FL5FDGGS0001 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES Oc(c24)cc(cc2OC(=C(OC)C4=O)c(c3)cc(O)c(O)c(O)3)OC(C1O)OC(C(O)C1O)C | + | SMILES Oc(c24)cc(cc2OC(=C(OC)C4=O)c(c3)cc(O)c(O)c(O)3)OC(C1O)OC(C(O)C1O)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
-1.4252 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7107 -1.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0037 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0037 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7107 -0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7181 -1.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4325 -1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4325 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7181 -0.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7181 -2.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1467 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8749 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6031 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6031 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8749 1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1467 0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7107 -2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4175 1.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2097 -0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3310 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8749 2.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7373 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9304 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1865 0.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9304 1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7373 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4814 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4191 2.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9399 2.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1438 1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4175 0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1858 -1.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2979 -2.3778 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
1 20 1 0 0 0 0
14 21 1 0 0 0 0
16 22 1 0 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 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
28 31 1 0 0 0 0
23 32 1 0 0 0 0
24 20 1 0 0 0 0
33 34 1 0 0 0 0
8 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 OCH3
M SBV 1 37 -0.7532 0.4349
S SKP 5
ID FL5FDGGS0001
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES Oc(c24)cc(cc2OC(=C(OC)C4=O)c(c3)cc(O)c(O)c(O)3)OC(C1O)OC(C(O)C1O)C
M END
