Mol:FL7AAGGL0046
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5311 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5311 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5311 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5311 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8166 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8166 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1022 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1022 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1022 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1022 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8166 2.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8166 2.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3878 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3878 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3267 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3267 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3267 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3267 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3878 2.6492 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.3878 2.6492 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1032 2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1032 2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8177 2.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8177 2.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5322 2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5322 2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5322 3.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5322 3.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8177 3.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8177 3.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1032 3.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1032 3.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1722 3.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1722 3.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1852 0.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1852 0.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1111 2.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1111 2.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8166 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8166 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8177 4.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8177 4.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1971 2.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1971 2.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3159 -1.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3159 -1.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5086 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5086 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6921 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6921 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2599 0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2599 0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4355 0.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4355 0.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2519 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2519 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4015 -0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4015 -0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2939 -2.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2939 -2.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2791 -1.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2791 -1.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5529 -0.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5529 -0.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8567 -1.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8567 -1.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2676 -2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2676 -2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6802 -3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6802 -3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8867 -2.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8867 -2.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0884 -3.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0884 -3.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6757 -2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6757 -2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4693 -2.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4693 -2.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0518 -3.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0518 -3.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4247 -3.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4247 -3.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1971 -2.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1971 -2.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0227 -2.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0227 -2.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4029 -4.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4029 -4.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0629 -4.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0629 -4.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8090 -4.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8090 -4.5876 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 2 0 0 0 0 | + | 7 8 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 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 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 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 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 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 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 34 43 1 0 0 0 0 | + | 34 43 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 41 44 1 0 0 0 0 | + | 41 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGL0046 | + | ID FL7AAGGL0046 |
| − | FORMULA C29H33O17 | + | FORMULA C29H33O17 |
| − | EXACTMASS 653.1717746300001 | + | EXACTMASS 653.1717746300001 |
| − | AVERAGEMASS 653.56212 | + | AVERAGEMASS 653.56212 |
| − | SMILES C(O1)(OCC(C5O)OC(C(C5O)O)Oc(c2)c(c(c4)cc(c(O)c4O)O)[o+1]c(c3)c2c(O)cc(O)3)C(O)C(C(O)C1C)OC(C)=O | + | SMILES C(O1)(OCC(C5O)OC(C(C5O)O)Oc(c2)c(c(c4)cc(c(O)c4O)O)[o+1]c(c3)c2c(O)cc(O)3)C(O)C(C(O)C1C)OC(C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-2.5311 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5311 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8166 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8166 2.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3878 0.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3267 1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3267 2.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3878 2.6492 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.1032 2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8177 2.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5322 2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5322 3.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8177 3.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1032 3.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1722 3.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1852 0.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1111 2.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8166 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8177 4.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1971 2.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3159 -1.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5086 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6921 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2599 0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4355 0.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2519 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4015 -0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2939 -2.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2791 -1.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5529 -0.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8567 -1.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2676 -2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6802 -3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8867 -2.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0884 -3.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 -2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4693 -2.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0518 -3.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4247 -3.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1971 -2.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0227 -2.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4029 -4.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0629 -4.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8090 -4.5876 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 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
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
13 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
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 18 1 0 0 0 0
33 29 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 1 0 0 0 0
38 33 1 0 0 0 0
41 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0046
FORMULA C29H33O17
EXACTMASS 653.1717746300001
AVERAGEMASS 653.56212
SMILES C(O1)(OCC(C5O)OC(C(C5O)O)Oc(c2)c(c(c4)cc(c(O)c4O)O)[o+1]c(c3)c2c(O)cc(O)3)C(O)C(C(O)C1C)OC(C)=O
M END
