Mol:FL5FAAGS0113
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 48 52 0 0 0 0 0 0 0 0999 V2000 | + | 48 52 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1286 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1286 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 3.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 3.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 2.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 2.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 0.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 0.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1582 2.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1582 2.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0204 0.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0204 0.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1582 3.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1582 3.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7140 -1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7140 -1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9911 -2.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9911 -2.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 -1.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 -1.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0085 -1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0085 -1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7317 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7317 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3903 -1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3903 -1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5236 -1.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5236 -1.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4934 -2.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4934 -2.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5429 -2.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5429 -2.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3613 -2.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3613 -2.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5036 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5036 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3187 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3187 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4713 -0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4713 -0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0159 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0159 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1935 0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1935 0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0408 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0408 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4718 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4718 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9087 -1.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9087 -1.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6218 -2.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6218 -2.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1060 -1.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1060 -1.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2251 -0.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2251 -0.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6083 -1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6083 -1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3367 -1.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3367 -1.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5795 -2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5795 -2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2791 -2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2791 -2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2503 -3.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2503 -3.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0076 -2.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0076 -2.6110 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 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 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 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 19 1 0 0 0 0 | + | 35 19 1 0 0 0 0 |
| − | 26 42 1 0 0 0 0 | + | 26 42 1 0 0 0 0 |
| − | 39 43 1 0 0 0 0 | + | 39 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
| − | 46 48 1 0 0 0 0 | + | 46 48 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0113 | + | ID FL5FAAGS0113 |
| − | FORMULA C30H32O18 | + | FORMULA C30H32O18 |
| − | EXACTMASS 680.1588642199999 | + | EXACTMASS 680.1588642199999 |
| − | AVERAGEMASS 680.56428 | + | AVERAGEMASS 680.56428 |
| − | SMILES C(C1OC(=C4c(c5)ccc(c5)O)C(=O)c(c(O4)3)c(O)cc(c3)O)(OC(C2O)OC(C(O)C(O)2)C)C(C(O)C(O1)COC(CC(O)=O)=O)O | + | SMILES C(C1OC(=C4c(c5)ccc(c5)O)C(=O)c(c(O4)3)c(O)cc(c3)O)(OC(C2O)OC(C(O)C(O)2)C)C(C(O)C(O1)COC(CC(O)=O)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
1.1286 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 3.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 2.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 2.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0204 0.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 3.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7140 -1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9911 -2.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 -1.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0085 -1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7317 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3903 -1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5236 -1.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4934 -2.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5429 -2.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3613 -2.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5036 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3187 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4713 -0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0159 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1935 0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0408 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4718 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9087 -1.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6218 -2.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1060 -1.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2251 -0.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6083 -1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3367 -1.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5795 -2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2791 -2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2503 -3.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0076 -2.6110 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
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 19 1 0 0 0 0
26 42 1 0 0 0 0
39 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
S SKP 5
ID FL5FAAGS0113
FORMULA C30H32O18
EXACTMASS 680.1588642199999
AVERAGEMASS 680.56428
SMILES C(C1OC(=C4c(c5)ccc(c5)O)C(=O)c(c(O4)3)c(O)cc(c3)O)(OC(C2O)OC(C(O)C(O)2)C)C(C(O)C(O1)COC(CC(O)=O)=O)O
M END
