Mol:FL3FACGS0023
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 |
| − | 0.9147 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9147 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9147 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9147 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5509 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5509 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1870 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1870 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1870 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1870 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5509 -0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5509 -0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8232 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8232 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4594 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4594 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4594 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4594 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8232 -0.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8232 -0.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8232 -2.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8232 -2.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0954 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0954 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7437 -0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7437 -0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3920 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3920 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3920 0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3920 0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7437 0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7437 0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0954 0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0954 0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1820 -0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1820 -0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5509 -2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5509 -2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9635 0.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9635 0.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7425 1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7425 1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1438 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1438 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4892 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4892 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5467 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5467 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2982 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2982 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2610 -0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2610 -0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6516 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6516 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2670 -1.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2670 -1.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6714 -1.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6714 -1.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7459 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7459 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5471 0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5471 0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2706 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2706 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4732 -0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4732 -0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7263 0.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7263 0.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4732 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4732 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2706 2.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2706 2.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0177 1.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0177 1.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9050 2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9050 2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4512 2.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4512 2.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6510 1.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6510 1.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9635 0.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9635 0.2724 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 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 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 32 31 1 0 0 0 0 | + | 32 31 1 0 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 38 33 1 1 0 0 0 | + | 38 33 1 1 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 38 41 1 0 0 0 0 | + | 38 41 1 0 0 0 0 |
| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 34 32 1 0 0 0 0 | + | 34 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0023 | + | ID FL3FACGS0023 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c54)C(=O)C=C(O4)c(c3)cc(c(c3)O)O)2)O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c54)C(=O)C=C(O4)c(c3)cc(c(c3)O)O)2)O)C(C(O)C(O)1)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/
42 46 0 0 0 0 0 0 0 0999 V2000
0.9147 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9147 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5509 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1870 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1870 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5509 -0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8232 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4594 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4594 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8232 -0.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8232 -2.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0954 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7437 -0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3920 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3920 0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7437 0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0954 0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1820 -0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5509 -2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9635 0.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7425 1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1438 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4892 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5467 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2982 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 -0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6516 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2670 -1.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6714 -1.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7459 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5471 0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2706 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4732 -0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7263 0.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4732 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2706 2.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0177 1.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9050 2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4512 2.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6510 1.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9635 0.2724 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 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
27 31 1 0 0 0 0
25 18 1 0 0 0 0
32 31 1 0 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
38 33 1 1 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
38 41 1 0 0 0 0
33 42 1 0 0 0 0
34 32 1 0 0 0 0
S SKP 5
ID FL3FACGS0023
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c54)C(=O)C=C(O4)c(c3)cc(c(c3)O)O)2)O)C(C(O)C(O)1)O
M END
