Mol:FL7AACGO0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7659 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7659 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7659 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7659 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0514 -1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0514 -1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0514 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0514 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3775 -1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3775 -1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0919 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0919 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0919 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0919 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3775 0.5461 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.3775 0.5461 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8061 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8061 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5343 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5343 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2624 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2624 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2624 1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2624 1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5343 1.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5343 1.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8061 1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8061 1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9905 1.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9905 1.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4801 0.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4801 0.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0514 -1.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0514 -1.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8323 -1.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8323 -1.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5343 2.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5343 2.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6784 -1.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6784 -1.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1624 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1624 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4196 -2.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4196 -2.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7028 -2.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7028 -2.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2237 -1.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2237 -1.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8736 -2.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8736 -2.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2881 -2.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2881 -2.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7797 -2.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7797 -2.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8070 -2.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8070 -2.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8612 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8612 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4674 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4674 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2247 -1.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2247 -1.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9865 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9865 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3804 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3804 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6230 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6230 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3144 -0.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3144 -0.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9376 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9376 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2942 -0.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2942 -0.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3569 -1.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3569 -1.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3804 -1.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3804 -1.2916 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 32 20 1 0 0 0 0 | + | 32 20 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 27 40 1 0 0 0 0 | + | 27 40 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 45 0.4833 -0.4898 | + | M SBV 1 45 0.4833 -0.4898 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGS0005 | + | ID FL7AACGS0005 |
| − | FORMULA C26H29O15 | + | FORMULA C26H29O15 |
| − | EXACTMASS 581.1506452579999 | + | EXACTMASS 581.1506452579999 |
| − | AVERAGEMASS 581.49946 | + | AVERAGEMASS 581.49946 |
| − | SMILES c(c5)(ccc(O)c(O)5)c([o+1]3)c(OC(O4)C(C(O)C(O)C4)O)cc(c31)c(OC(O2)C(C(C(O)C2CO)O)O)cc(c1)O | + | SMILES c(c5)(ccc(O)c(O)5)c([o+1]3)c(OC(O4)C(C(O)C(O)C4)O)cc(c31)c(OC(O2)C(C(C(O)C2CO)O)O)cc(c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.7659 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7659 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0514 -1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0514 0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3775 -1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0919 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0919 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3775 0.5461 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.8061 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5343 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2624 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2624 1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5343 1.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8061 1.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9905 1.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4801 0.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0514 -1.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8323 -1.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5343 2.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6784 -1.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1624 -2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4196 -2.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7028 -2.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2237 -1.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8736 -2.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2881 -2.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7797 -2.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8070 -2.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8612 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2247 -1.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9865 -1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3804 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6230 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3144 -0.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9376 -0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2942 -0.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3569 -1.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3804 -1.2916 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 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
31 32 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 31 1 0 0 0 0
31 37 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
32 20 1 0 0 0 0
40 41 1 0 0 0 0
27 40 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^CH2OH
M SBV 1 45 0.4833 -0.4898
S SKP 5
ID FL7AACGS0005
FORMULA C26H29O15
EXACTMASS 581.1506452579999
AVERAGEMASS 581.49946
SMILES c(c5)(ccc(O)c(O)5)c([o+1]3)c(OC(O4)C(C(O)C(O)C4)O)cc(c31)c(OC(O2)C(C(C(O)C2CO)O)O)cc(c1)O
M END
