Mol:FL3FADGS0021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.4054 0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4054 0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4054 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4054 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1200 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1200 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8345 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8345 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8345 0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8345 0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1200 1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1200 1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6909 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6909 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9763 -0.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9763 -0.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2619 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2619 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2619 -1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2619 -1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9763 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9763 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6909 -1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6909 -1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5473 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5473 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1672 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1672 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1672 -1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1672 -1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5473 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5473 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9763 -2.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9763 -2.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8817 -0.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8817 -0.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5473 -2.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5473 -2.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5401 1.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5401 1.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4090 -0.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4090 -0.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1346 0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1346 0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6111 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6111 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1986 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1986 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4004 -0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4004 -0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6072 -0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6072 -0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0197 0.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0197 0.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8179 0.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8179 0.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2296 0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2296 0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8277 0.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8277 0.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2991 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2991 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9346 -0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9346 -0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9106 -0.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9106 -0.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1271 1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1271 1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6456 1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6456 1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3227 2.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3227 2.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1271 1.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1271 1.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8202 1.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8202 1.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6456 1.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6456 1.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3227 1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3227 1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7698 0.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7698 0.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1346 2.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1346 2.1148 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 40 34 1 0 0 0 0 | + | 40 34 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 40 38 1 0 0 0 0 | + | 40 38 1 0 0 0 0 |
| − | 39 35 1 0 0 0 0 | + | 39 35 1 0 0 0 0 |
| − | 40 36 1 0 0 0 0 | + | 40 36 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 38 41 1 1 0 0 0 | + | 38 41 1 1 0 0 0 |
| − | 39 41 1 1 0 0 0 | + | 39 41 1 1 0 0 0 |
| − | 30 38 1 0 0 0 0 | + | 30 38 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FADGS0021 | + | ID FL3FADGS0021 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES O(CC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c53)C(=O)C=C(c(c4)cc(OC)c(c4)O)O3)2)O)C(C(O)1)OC(CO)C1O | + | SMILES O(CC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c53)C(=O)C=C(c(c4)cc(OC)c(c4)O)O3)2)O)C(C(O)1)OC(CO)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
3.4054 0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4054 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1200 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8345 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8345 0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1200 1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6909 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9763 -0.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2619 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2619 -1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9763 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6909 -1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5473 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1672 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1672 -1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5473 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9763 -2.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8817 -0.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5473 -2.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5401 1.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4090 -0.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1346 0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6111 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1986 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4004 -0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6072 -0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0197 0.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8179 0.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2296 0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8277 0.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2991 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9346 -0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9106 -0.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1271 1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6456 1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3227 2.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1271 1.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8202 1.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6456 1.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3227 1.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7698 0.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1346 2.1148 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
18 26 1 0 0 0 0
40 34 1 0 0 0 0
34 39 1 0 0 0 0
40 38 1 0 0 0 0
39 35 1 0 0 0 0
40 36 1 0 0 0 0
34 37 1 0 0 0 0
38 41 1 1 0 0 0
39 41 1 1 0 0 0
30 38 1 0 0 0 0
35 42 1 0 0 0 0
S SKP 5
ID FL3FADGS0021
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES O(CC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c53)C(=O)C=C(c(c4)cc(OC)c(c4)O)O3)2)O)C(C(O)1)OC(CO)C1O
M END
