Mol:FL3FAAGS0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8245 -0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8245 -0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8245 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8245 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1235 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1235 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5775 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5775 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5775 -0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5775 -0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1235 0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1235 0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2785 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2785 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9795 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9795 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9795 -0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9795 -0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2785 0.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2785 0.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2785 -2.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2785 -2.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6802 0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6802 0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3947 -0.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3947 -0.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1092 0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1092 0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1092 1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1092 1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3947 1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3947 1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6802 1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6802 1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5253 0.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5253 0.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1235 -2.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1235 -2.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8234 1.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8234 1.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1818 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1818 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6619 -0.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6619 -0.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9134 -0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9134 -0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1912 -0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1912 -0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7160 0.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7160 0.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4806 0.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4806 0.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8234 0.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8234 0.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3664 -0.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3664 -0.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1468 -0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1468 -0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0390 0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0390 0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8729 1.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8729 1.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1416 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1416 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6411 1.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6411 1.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8733 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8733 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1511 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1511 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6759 2.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6759 2.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3772 1.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3772 1.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3332 1.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3332 1.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5022 1.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5022 1.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0646 0.9770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0646 0.9770 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 |
| − | 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 |
| − | 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 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 31 30 1 0 0 0 0 | + | 31 30 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 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0017 | + | ID FL3FAAGS0017 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C1O)OC(COC(O2)C(O)C(C(O)C2)O)C(O)C1O | + | SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C1O)OC(COC(O2)C(O)C(C(O)C2)O)C(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-0.8245 -0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8245 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1235 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 -0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1235 0.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2785 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9795 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9795 -0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2785 0.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2785 -2.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6802 0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3947 -0.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1092 0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1092 1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3947 1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6802 1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5253 0.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1235 -2.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8234 1.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1818 0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6619 -0.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9134 -0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1912 -0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7160 0.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4806 0.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8234 0.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3664 -0.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1468 -0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0390 0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8729 1.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1416 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6411 1.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8733 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1511 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6759 2.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3772 1.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3332 1.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5022 1.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0646 0.9770 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
3 19 1 0 0 0 0
15 20 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
24 18 1 0 0 0 0
26 30 1 0 0 0 0
31 30 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 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
31 32 1 0 0 0 0
35 40 1 0 0 0 0
S SKP 5
ID FL3FAAGS0017
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C1O)OC(COC(O2)C(O)C(C(O)C2)O)C(O)C1O
M END
