Mol:FL3FAAGS0052
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.5128 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5128 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5128 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5128 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2067 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2067 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9007 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9007 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9007 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9007 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2067 0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2067 0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5948 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5948 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2887 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2887 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2887 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2887 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5948 0.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5948 0.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5948 -1.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5948 -1.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9824 0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9824 0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6898 -0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6898 -0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3971 0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3971 0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3971 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3971 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6898 1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6898 1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9824 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9824 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1809 0.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1809 0.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1042 1.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1042 1.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2067 -1.8839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2067 -1.8839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7255 0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7255 0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0043 -0.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0043 -0.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9659 -0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9659 -0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9640 -0.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9640 -0.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6920 0.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6920 0.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7528 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7528 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4686 0.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4686 0.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8385 -0.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8385 -0.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1427 -0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1427 -0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1592 0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1592 0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0831 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0831 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6499 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6499 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5597 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5597 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4631 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4631 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8960 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8960 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9863 -1.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9863 -1.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1884 -3.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1884 -3.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0838 -2.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0838 -2.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7487 -1.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7487 -1.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4631 -3.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4631 -3.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7441 1.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7441 1.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5375 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5375 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5256 1.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5256 1.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2971 2.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2971 2.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1042 1.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1042 1.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2971 3.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2971 3.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5375 3.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5375 3.3797 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 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 |
| − | 35 29 1 0 0 0 0 | + | 35 29 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 30 41 1 0 0 0 0 | + | 30 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 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 |
| − | 42 47 2 0 0 0 0 | + | 42 47 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0052 | + | ID FL3FAAGS0052 |
| − | FORMULA C30H32O17 | + | FORMULA C30H32O17 |
| − | EXACTMASS 664.163949598 | + | EXACTMASS 664.163949598 |
| − | AVERAGEMASS 664.56488 | + | AVERAGEMASS 664.56488 |
| − | SMILES c(O)(c1)ccc(C(O2)=CC(c(c(O)3)c2cc(OC(C(OC(O5)C(O)C(C(O)C5C)O)4)OC(C(O)C(O)4)COC(=O)CC(O)=O)c3)=O)c1 | + | SMILES c(O)(c1)ccc(C(O2)=CC(c(c(O)3)c2cc(OC(C(OC(O5)C(O)C(C(O)C5C)O)4)OC(C(O)C(O)4)COC(=O)CC(O)=O)c3)=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
0.5128 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5128 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9007 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9007 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5948 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2887 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2887 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5948 0.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5948 -1.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9824 0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6898 -0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3971 0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3971 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6898 1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9824 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1809 0.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1042 1.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 -1.8839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7255 0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0043 -0.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9659 -0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9640 -0.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6920 0.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7528 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4686 0.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8385 -0.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1427 -0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1592 0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0831 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6499 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5597 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8960 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9863 -1.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1884 -3.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0838 -2.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7487 -1.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 -3.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7441 1.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5375 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5256 1.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2971 2.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1042 1.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2971 3.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5375 3.3797 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 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
35 29 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
31 39 1 0 0 0 0
34 40 1 0 0 0 0
24 18 1 0 0 0 0
30 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
42 47 2 0 0 0 0
S SKP 5
ID FL3FAAGS0052
FORMULA C30H32O17
EXACTMASS 664.163949598
AVERAGEMASS 664.56488
SMILES c(O)(c1)ccc(C(O2)=CC(c(c(O)3)c2cc(OC(C(OC(O5)C(O)C(C(O)C5C)O)4)OC(C(O)C(O)4)COC(=O)CC(O)=O)c3)=O)c1
M END
