Mol:FL3FADCS0005
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 |
| − | -1.7739 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7739 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7739 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7739 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0594 -2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0594 -2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3449 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3449 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3449 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3449 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0594 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0594 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3695 -2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3695 -2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0840 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0840 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0840 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0840 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3695 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3695 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3695 -2.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3695 -2.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4881 -0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4881 -0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8777 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8777 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6305 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6305 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3834 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3834 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3834 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3834 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6305 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6305 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8777 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8777 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6677 0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6677 0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7707 2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7707 2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5485 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5485 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2185 1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2185 1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2097 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2097 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6146 0.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6146 0.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0064 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0064 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1593 3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1593 3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5485 2.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5485 2.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5472 0.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5472 0.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0594 -3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0594 -3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1283 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1283 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6517 -0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6517 -0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9652 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9652 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3027 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3027 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7841 0.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7841 0.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3846 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3846 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6677 0.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6677 0.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2507 -0.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2507 -0.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4649 -0.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4649 -0.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0067 1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0067 1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5843 2.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5843 2.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5291 2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5291 2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3886 1.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3886 1.5206 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 17 39 1 0 0 0 0 | + | 17 39 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 25 41 1 0 0 0 0 | + | 25 41 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 44 -0.3762 -0.7471 | + | M SBV 1 44 -0.3762 -0.7471 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 41 42 | + | M SAL 2 2 41 42 |
| − | M SBL 2 1 46 | + | M SBL 2 1 46 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 46 -0.4773 -0.4773 | + | M SBV 2 46 -0.4773 -0.4773 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FADCS0005 | + | ID FL3FADCS0005 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES OC(C(O)1)C(O)COC(OC(C5O)C(OC(C(O)5)CO)c(c24)c(cc(c(C(=O)C=C(O4)c(c3)ccc(c3OC)O)2)O)O)1 | + | SMILES OC(C(O)1)C(O)COC(OC(C5O)C(OC(C(O)5)CO)c(c24)c(cc(c(C(=O)C=C(O4)c(c3)ccc(c3OC)O)2)O)O)1 |
M END | M END | ||
| − | |||
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
-1.7739 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7739 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0594 -2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3449 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3449 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0594 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3695 -2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0840 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0840 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3695 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3695 -2.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4881 -0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8777 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6305 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3834 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3834 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6305 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8777 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6677 0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7707 2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5485 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2185 1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2097 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6146 0.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0064 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1593 3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5485 2.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5472 0.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0594 -3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1283 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6517 -0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9652 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3027 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7841 0.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3846 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6677 0.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2507 -0.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4649 -0.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0067 1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5843 2.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5291 2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3886 1.5206 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
1 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
13 9 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
6 23 1 0 0 0 0
3 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 28 1 0 0 0 0
39 40 1 0 0 0 0
17 39 1 0 0 0 0
41 42 1 0 0 0 0
25 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 OCH3
M SBV 1 44 -0.3762 -0.7471
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 CH2OH
M SBV 2 46 -0.4773 -0.4773
S SKP 5
ID FL3FADCS0005
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES OC(C(O)1)C(O)COC(OC(C5O)C(OC(C(O)5)CO)c(c24)c(cc(c(C(=O)C=C(O4)c(c3)ccc(c3OC)O)2)O)O)1
M END
