Mol:FL2FACGS0016
From Metabolomics.JP
(Difference between revisions)
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| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.2504 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2504 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9630 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9630 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2536 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2536 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9704 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9704 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6830 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6830 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6793 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6793 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3993 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3993 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1119 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1119 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1083 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1083 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3920 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3920 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7621 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7621 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4782 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4782 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1911 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1911 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1879 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1879 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4718 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4718 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7590 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7590 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4004 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4004 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3751 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3751 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9704 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9704 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8439 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8439 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8218 0.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8218 0.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7776 -0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7776 -0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0629 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0629 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4760 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4760 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6754 -0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6754 -0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3901 0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3901 0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9770 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9770 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9288 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9288 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1409 -1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1409 -1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5567 -1.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5567 -1.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6955 -0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6955 -0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4753 0.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4753 0.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0337 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0337 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8497 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8497 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0337 0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0337 0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4818 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4818 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3991 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3991 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8497 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8497 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4398 0.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4398 0.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3991 -0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3991 -0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8439 -1.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8439 -1.0788 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 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 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 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 38 33 1 1 0 0 0 | + | 38 33 1 1 0 0 0 |
| − | 37 33 1 1 0 0 0 | + | 37 33 1 1 0 0 0 |
| − | 36 38 1 1 0 0 0 | + | 36 38 1 1 0 0 0 |
| − | 38 34 1 0 0 0 0 | + | 38 34 1 0 0 0 0 |
| − | 39 36 1 0 0 0 0 | + | 39 36 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FACGS0016 | + | ID FL2FACGS0016 |
| − | FORMULA C26H30O15 | + | FORMULA C26H30O15 |
| − | EXACTMASS 582.15847029 | + | EXACTMASS 582.15847029 |
| − | AVERAGEMASS 582.5074 | + | AVERAGEMASS 582.5074 |
| − | SMILES c(c(O)5)(O)cc(cc5)C(C4)Oc(c1)c(C(=O)4)c(O)cc(OC(C(O)2)OC(COC(C(O)3)OC(CO)C3O)C(O)C2O)1 | + | SMILES c(c(O)5)(O)cc(cc5)C(C4)Oc(c1)c(C(=O)4)c(O)cc(OC(C(O)2)OC(COC(C(O)3)OC(CO)C3O)C(O)C2O)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/
41 45 0 0 0 0 0 0 0 0999 V2000
0.2504 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9630 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2536 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9704 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6830 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6793 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3993 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1119 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1083 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3920 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7621 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4782 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1911 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1879 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4718 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7590 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4004 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3751 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9704 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8439 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8218 0.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7776 -0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0629 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4760 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 -0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3901 0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9770 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9288 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1409 -1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5567 -1.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6955 -0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4753 0.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0337 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8497 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0337 0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4818 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3991 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8497 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4398 0.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3991 -0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8439 -1.0788 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
14 20 1 0 0 0 0
13 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
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
28 32 1 0 0 0 0
25 18 1 0 0 0 0
38 33 1 1 0 0 0
37 33 1 1 0 0 0
36 38 1 1 0 0 0
38 34 1 0 0 0 0
39 36 1 0 0 0 0
37 39 1 0 0 0 0
33 35 1 0 0 0 0
37 40 1 0 0 0 0
40 41 1 0 0 0 0
32 36 1 0 0 0 0
S SKP 5
ID FL2FACGS0016
FORMULA C26H30O15
EXACTMASS 582.15847029
AVERAGEMASS 582.5074
SMILES c(c(O)5)(O)cc(cc5)C(C4)Oc(c1)c(C(=O)4)c(O)cc(OC(C(O)2)OC(COC(C(O)3)OC(CO)C3O)C(O)C2O)1
M END
