Mol:FL6F1CGS0001
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0673 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0673 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0673 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0673 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3529 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3529 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3615 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3615 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3615 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3615 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3529 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3529 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0759 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0759 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7904 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7904 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7904 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7904 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0759 0.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0759 0.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5048 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5048 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2252 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2252 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9456 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9456 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9456 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9456 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2252 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2252 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5048 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5048 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7818 0.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7818 0.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4326 0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4326 0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9206 -0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9206 -0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1834 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1834 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4720 -0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4720 -0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9889 0.4088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9889 0.4088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6338 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6338 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0780 0.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0780 0.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6141 -0.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6141 -0.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5120 -0.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5120 -0.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7367 -0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7367 -0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2257 0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2257 0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7367 1.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7367 1.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1265 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1265 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2257 0.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2257 0.8697 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 |
| − | 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 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 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
| − | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 14 1 0 0 0 0 | + | 29 14 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 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 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 35 0.4927 -0.5069 | + | M SBV 1 35 0.4927 -0.5069 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL6F1CGS0001 | + | ID FL6F1CGS0001 |
| − | FORMULA C22H24O9 | + | FORMULA C22H24O9 |
| − | EXACTMASS 432.14203236599997 | + | EXACTMASS 432.14203236599997 |
| − | AVERAGEMASS 432.42056 | + | AVERAGEMASS 432.42056 |
| − | SMILES O(C1)c(c2)c(ccc2C(O3)CCc(c4)c(cc(OC(C(O)5)OC(CO)C(O)C5O)c4)3)O1 | + | SMILES O(C1)c(c2)c(ccc2C(O3)CCc(c4)c(cc(OC(C(O)5)OC(CO)C(O)C5O)c4)3)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.0673 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0673 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3529 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3615 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3615 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3529 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0759 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7904 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7904 -0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0759 0.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5048 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2252 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9456 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9456 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2252 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5048 1.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7818 0.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4326 0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9206 -0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1834 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4720 -0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9889 0.4088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6338 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0780 0.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6141 -0.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5120 -0.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7367 -0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2257 0.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7367 1.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1265 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2257 0.8697 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
4 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 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
18 19 1 1 0 0 0
19 20 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 18 1 0 0 0 0
18 24 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 17 1 0 0 0 0
13 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 14 1 0 0 0 0
30 31 1 0 0 0 0
23 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 35
M SMT 1 ^CH2OH
M SBV 1 35 0.4927 -0.5069
S SKP 5
ID FL6F1CGS0001
FORMULA C22H24O9
EXACTMASS 432.14203236599997
AVERAGEMASS 432.42056
SMILES O(C1)c(c2)c(ccc2C(O3)CCc(c4)c(cc(OC(C(O)5)OC(CO)C(O)C5O)c4)3)O1
M END
