Mol:FL2FAAGM0004
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 |
| − | 0.4525 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4525 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1651 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1651 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4556 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4556 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1724 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1724 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8850 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8850 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8814 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8814 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6013 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6013 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3140 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3140 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3103 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3103 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5940 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5940 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9641 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9641 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6801 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6801 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3930 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3930 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3898 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3898 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6738 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6738 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9609 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9609 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6013 -1.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6013 -1.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1730 0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1730 0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1724 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1724 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2415 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2415 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1651 1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1651 1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9975 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9975 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5848 0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5848 0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7865 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7865 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9930 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9930 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4056 0.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4056 0.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2040 0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2040 0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6813 1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6813 1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5269 1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5269 1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5602 0.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5602 0.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2715 0.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2715 0.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4346 -0.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4346 -0.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9767 1.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9767 1.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4988 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4988 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4988 -0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4988 -0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3147 -0.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3147 -0.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4826 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4826 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9469 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9469 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8640 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8640 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3147 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3147 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9048 1.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9048 1.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9767 1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9767 1.4795 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 14 33 1 0 0 0 0 | + | 14 33 1 0 0 0 0 |
| − | 40 34 1 1 0 0 0 | + | 40 34 1 1 0 0 0 |
| − | 39 34 1 1 0 0 0 | + | 39 34 1 1 0 0 0 |
| − | 38 40 1 1 0 0 0 | + | 38 40 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 40 36 1 0 0 0 0 | + | 40 36 1 0 0 0 0 |
| − | 41 38 1 0 0 0 0 | + | 41 38 1 0 0 0 0 |
| − | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
| − | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 29 38 1 0 0 0 0 | + | 29 38 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FAAGM0004 | + | ID FL2FAAGM0004 |
| − | FORMULA C28H34O14 | + | FORMULA C28H34O14 |
| − | EXACTMASS 594.194855796 | + | EXACTMASS 594.194855796 |
| − | AVERAGEMASS 594.56116 | + | AVERAGEMASS 594.56116 |
| − | SMILES c(c3C)(c1c(c(C)c3OC(C(O)5)OC(C(O)C(O)5)COC(O4)C(C(CO)(O)C4)O)O)OC(c(c2)ccc(c2)O)CC(=O)1 | + | SMILES c(c3C)(c1c(c(C)c3OC(C(O)5)OC(C(O)C(O)5)COC(O4)C(C(CO)(O)C4)O)O)OC(c(c2)ccc(c2)O)CC(=O)1 |
M END | M END | ||
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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
0.4525 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1651 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4556 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1724 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8850 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8814 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6013 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3140 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3103 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5940 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9641 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6801 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3930 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3898 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6738 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9609 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6013 -1.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1730 0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1724 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2415 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1651 1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9975 0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5848 0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7865 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9930 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4056 0.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2040 0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6813 1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5269 1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5602 0.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2715 0.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4346 -0.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9767 1.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4988 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4988 -0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3147 -0.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4826 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9469 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8640 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3147 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9048 1.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9767 1.4795 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 6 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
3 20 1 0 0 0 0
2 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
14 33 1 0 0 0 0
40 34 1 1 0 0 0
39 34 1 1 0 0 0
38 40 1 1 0 0 0
34 35 1 0 0 0 0
40 36 1 0 0 0 0
41 38 1 0 0 0 0
37 42 1 0 0 0 0
39 41 1 0 0 0 0
34 37 1 0 0 0 0
29 38 1 0 0 0 0
S SKP 5
ID FL2FAAGM0004
FORMULA C28H34O14
EXACTMASS 594.194855796
AVERAGEMASS 594.56116
SMILES c(c3C)(c1c(c(C)c3OC(C(O)5)OC(C(O)C(O)5)COC(O4)C(C(CO)(O)C4)O)O)OC(c(c2)ccc(c2)O)CC(=O)1
M END
