Mol:FL3FACGSS001
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 |
| − | -3.1947 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1947 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1947 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1947 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6185 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6185 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0422 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0422 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0422 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0422 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6185 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6185 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4662 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4662 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8899 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8899 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8899 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8899 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4662 1.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4662 1.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4662 -0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4662 -0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3140 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3140 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2732 0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2732 0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8604 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8604 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8604 1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8604 1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2732 2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2732 2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3140 1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3140 1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8583 1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8583 1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6185 -0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6185 -0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6197 2.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6197 2.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7741 1.1620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7741 1.1620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7741 2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7741 2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7741 0.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7741 0.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5239 1.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5239 1.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4737 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4737 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9786 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9786 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9307 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9307 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8887 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8887 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3840 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3840 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4317 -0.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4317 -0.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5966 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5966 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9377 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9377 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4424 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4424 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3947 0.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3947 0.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3526 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3526 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8479 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8479 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8957 1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8957 1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0812 1.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0812 1.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4761 1.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4761 1.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5239 1.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5239 1.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0158 0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0158 0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2815 0.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2815 0.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4861 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4861 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3327 -2.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3327 -2.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8901 -2.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8901 -2.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5402 0.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5402 0.7991 0.0000 O 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 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 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 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 |
| − | 29 42 1 0 0 0 0 | + | 29 42 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 26 43 1 0 0 0 0 | + | 26 43 1 0 0 0 0 |
| − | 27 44 1 0 0 0 0 | + | 27 44 1 0 0 0 0 |
| − | 28 45 1 0 0 0 0 | + | 28 45 1 0 0 0 0 |
| − | 14 46 1 0 0 0 0 | + | 14 46 1 0 0 0 0 |
| − | 33 46 1 0 0 0 0 | + | 33 46 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGSS001 | + | ID FL3FACGSS001 |
| − | FORMULA C27H30O18S | + | FORMULA C27H30O18S |
| − | EXACTMASS 674.115284846 | + | EXACTMASS 674.115284846 |
| − | AVERAGEMASS 674.5823 | + | AVERAGEMASS 674.5823 |
| − | SMILES O(C1C)C(OCC(C(O)2)OC(Oc(c3O)cc(C(=C4)Oc(c5)c(c(cc5OS(O)(=O)=O)O)C(=O)4)cc3)C(O)C2O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(C(O)2)OC(Oc(c3O)cc(C(=C4)Oc(c5)c(c(cc5OS(O)(=O)=O)O)C(=O)4)cc3)C(O)C2O)C(C(O)C(O)1)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
-3.1947 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1947 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6185 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0422 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0422 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6185 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4662 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4662 1.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4662 -0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3140 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2732 0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8604 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8604 1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2732 2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3140 1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8583 1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6185 -0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6197 2.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7741 1.1620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.7741 2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7741 0.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5239 1.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4737 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9786 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9307 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8887 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3840 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4317 -0.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5966 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9377 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4424 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3947 0.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3526 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8957 1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0812 1.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4761 1.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5239 1.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0158 0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2815 0.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4861 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3327 -2.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8901 -2.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5402 0.7991 0.0000 O 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
25 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
29 42 1 0 0 0 0
41 42 1 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
28 45 1 0 0 0 0
14 46 1 0 0 0 0
33 46 1 0 0 0 0
S SKP 5
ID FL3FACGSS001
FORMULA C27H30O18S
EXACTMASS 674.115284846
AVERAGEMASS 674.5823
SMILES O(C1C)C(OCC(C(O)2)OC(Oc(c3O)cc(C(=C4)Oc(c5)c(c(cc5OS(O)(=O)=O)O)C(=O)4)cc3)C(O)C2O)C(C(O)C(O)1)O
M END
