Mol:FL2FA9GS0010
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 53 0 0 0 0 0 0 0 0999 V2000 | + | 48 53 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.7402 0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7402 0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4528 0.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4528 0.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7434 -0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7434 -0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4601 -1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4601 -1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1728 -0.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1728 -0.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1691 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1691 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8890 -1.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8890 -1.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6018 -0.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6018 -0.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5981 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5981 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8817 0.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8817 0.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2519 0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2519 0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9680 0.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9680 0.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6808 0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6808 0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6776 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6776 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9616 1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9616 1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2487 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2487 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8901 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8901 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1147 0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1147 0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4601 -1.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4601 -1.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5695 0.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5695 0.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1568 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1568 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3585 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3585 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5650 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5650 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9776 0.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9776 0.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7760 0.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7760 0.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2900 1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2900 1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8278 1.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8278 1.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3488 0.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3488 0.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8751 0.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8751 0.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8287 -0.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8287 -0.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7566 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7566 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7566 -1.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7566 -1.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5726 -1.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5726 -1.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7405 -0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7405 -0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2048 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2048 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1219 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1219 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5726 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5726 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1627 -0.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1627 -0.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2346 -0.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2346 -0.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2028 -1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2028 -1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2028 -1.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2028 -1.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0188 -1.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0188 -1.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1867 -0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1867 -0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6510 -0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6510 -0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5681 -0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5681 -0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0188 -1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0188 -1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6089 -0.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6089 -0.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6808 -0.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6808 -0.1915 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 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 |
| − | 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 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 37 31 1 1 0 0 0 | + | 37 31 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 35 37 1 1 0 0 0 | + | 35 37 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 37 33 1 0 0 0 0 | + | 37 33 1 0 0 0 0 |
| − | 38 35 1 0 0 0 0 | + | 38 35 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 31 34 1 0 0 0 0 | + | 31 34 1 0 0 0 0 |
| − | 46 40 1 1 0 0 0 | + | 46 40 1 1 0 0 0 |
| − | 45 40 1 1 0 0 0 | + | 45 40 1 1 0 0 0 |
| − | 44 46 1 1 0 0 0 | + | 44 46 1 1 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 46 42 1 0 0 0 0 | + | 46 42 1 0 0 0 0 |
| − | 47 44 1 0 0 0 0 | + | 47 44 1 0 0 0 0 |
| − | 43 48 1 0 0 0 0 | + | 43 48 1 0 0 0 0 |
| − | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
| − | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
| − | 30 35 1 0 0 0 0 | + | 30 35 1 0 0 0 0 |
| − | 39 44 1 0 0 0 0 | + | 39 44 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FA9GS0010 | + | ID FL2FA9GS0010 |
| − | FORMULA C31H38O17 | + | FORMULA C31H38O17 |
| − | EXACTMASS 682.21089979 | + | EXACTMASS 682.21089979 |
| − | AVERAGEMASS 682.62322 | + | AVERAGEMASS 682.62322 |
| − | SMILES C(C(c(c6)cccc6)5)C(=O)c(c1O5)c(O)cc(OC(C(OC(C(O)3)OCC(COC(O4)C(O)C(C4)(CO)O)3O)2)OC(CO)C(O)C2O)c1 | + | SMILES C(C(c(c6)cccc6)5)C(=O)c(c1O5)c(O)cc(OC(C(OC(C(O)3)OCC(COC(O4)C(O)C(C4)(CO)O)3O)2)OC(CO)C(O)C2O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
48 53 0 0 0 0 0 0 0 0999 V2000
0.7402 0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4528 0.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7434 -0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4601 -1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1728 -0.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1691 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8890 -1.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6018 -0.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8817 0.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2519 0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9680 0.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6776 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9616 1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2487 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8901 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1147 0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4601 -1.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5695 0.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1568 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3585 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5650 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9776 0.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7760 0.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2900 1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8278 1.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3488 0.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8751 0.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8287 -0.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7566 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7566 -1.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5726 -1.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7405 -0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2048 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1219 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5726 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1627 -0.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2346 -0.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2028 -1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2028 -1.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0188 -1.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1867 -0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6510 -0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5681 -0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0188 -1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6089 -0.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6808 -0.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 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
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 18 1 0 0 0 0
37 31 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 1 0 0 0
31 32 1 0 0 0 0
37 33 1 0 0 0 0
38 35 1 0 0 0 0
34 39 1 0 0 0 0
36 38 1 0 0 0 0
31 34 1 0 0 0 0
46 40 1 1 0 0 0
45 40 1 1 0 0 0
44 46 1 1 0 0 0
40 41 1 0 0 0 0
46 42 1 0 0 0 0
47 44 1 0 0 0 0
43 48 1 0 0 0 0
45 47 1 0 0 0 0
40 43 1 0 0 0 0
30 35 1 0 0 0 0
39 44 1 0 0 0 0
S SKP 5
ID FL2FA9GS0010
FORMULA C31H38O17
EXACTMASS 682.21089979
AVERAGEMASS 682.62322
SMILES C(C(c(c6)cccc6)5)C(=O)c(c1O5)c(O)cc(OC(C(OC(C(O)3)OCC(COC(O4)C(O)C(C4)(CO)O)3O)2)OC(CO)C(O)C2O)c1
M END
