Mol:FL3FECGS0049
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 |
| − | 2.3370 1.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3370 1.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3370 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3370 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0515 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0515 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7659 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7659 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7659 1.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7659 1.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0515 2.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0515 2.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6225 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6225 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9082 0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9082 0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1937 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1937 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1937 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1937 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9082 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9082 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6225 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6225 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5208 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5208 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2353 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2353 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2353 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2353 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5208 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5208 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9082 -1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9082 -1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9497 0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9497 0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5208 -1.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5208 -1.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4715 2.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4715 2.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4304 0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4304 0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8884 -0.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8884 -0.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8870 -1.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8870 -1.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4654 1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4654 1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2903 1.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2903 1.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6974 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6974 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4795 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4795 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6544 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6544 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2474 1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2474 1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1338 0.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1338 0.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5654 1.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5654 1.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4365 2.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4365 2.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9502 2.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9502 2.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8263 -1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8263 -1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6476 -1.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6476 -1.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7891 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7891 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3250 -0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3250 -0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5037 -0.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5037 -0.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3621 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3621 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5654 -0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5654 -0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2761 -2.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2761 -2.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7379 -2.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7379 -2.4690 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 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 37 21 1 0 0 0 0 | + | 37 21 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0049 | + | ID FL3FECGS0049 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES OC(C(O)1)C(O)C(Oc(c(OC)5)cc(c4c5O)OC(=CC(=O)4)c(c3)cc(c(O)c3)OC(O2)C(O)C(O)C(O)C2)OC1C | + | SMILES OC(C(O)1)C(O)C(Oc(c(OC)5)cc(c4c5O)OC(=CC(=O)4)c(c3)cc(c(O)c3)OC(O2)C(O)C(O)C(O)C2)OC1C |
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
2.3370 1.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3370 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0515 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7659 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7659 1.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0515 2.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6225 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9082 0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1937 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1937 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9082 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6225 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5208 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2353 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2353 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5208 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9082 -1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9497 0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5208 -1.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4715 2.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4304 0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8884 -0.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8870 -1.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4654 1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2903 1.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6974 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4795 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6544 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2474 1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1338 0.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5654 1.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4365 2.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9502 2.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8263 -1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6476 -1.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7891 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3250 -0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5037 -0.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3621 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5654 -0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2761 -2.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7379 -2.4690 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
15 22 1 0 0 0 0
22 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
25 32 1 0 0 0 0
24 33 1 0 0 0 0
28 18 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
34 42 1 0 0 0 0
37 21 1 0 0 0 0
S SKP 5
ID FL3FECGS0049
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES OC(C(O)1)C(O)C(Oc(c(OC)5)cc(c4c5O)OC(=CC(=O)4)c(c3)cc(c(O)c3)OC(O2)C(O)C(O)C(O)C2)OC1C
M END
