Mol:FL5FAAGS0019
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 |
| − | -4.2663 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2663 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2663 0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2663 0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5652 -0.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5652 -0.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8641 0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8641 0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8641 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8641 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5652 1.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5652 1.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1631 -0.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1631 -0.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4620 0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4620 0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4620 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4620 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1631 1.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1631 1.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1631 -0.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1631 -0.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7612 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7612 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0468 1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0468 1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6677 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6677 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6677 2.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6677 2.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0468 2.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0468 2.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7612 2.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7612 2.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5652 -0.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5652 -0.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9671 1.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9671 1.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3820 2.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3820 2.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9070 -0.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9070 -0.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7452 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7452 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5368 -2.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5368 -2.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2857 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2857 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5368 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5368 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7452 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7452 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9963 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9963 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9671 -0.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9671 -0.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7849 -2.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7849 -2.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3473 -2.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3473 -2.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8624 -1.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8624 -1.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3913 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3913 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0972 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0972 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8423 -0.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8423 -0.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7873 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7873 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2760 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2760 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3364 -0.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3364 -0.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3083 0.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3083 0.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8897 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8897 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0029 -0.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0029 -0.0629 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 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 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 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 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 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 |
| − | 21 33 1 0 0 0 0 | + | 21 33 1 0 0 0 0 |
| − | 40 26 1 0 0 0 0 | + | 40 26 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0019 | + | ID FL5FAAGS0019 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C(O)1)(C(O)C(OC1OC(C2)C(C(C(OC(=C4c(c5)ccc(c5)O)C(=O)c(c(O4)3)c(O)cc(O)c3)O2)O)O)C)O | + | SMILES C(C(O)1)(C(O)C(OC1OC(C2)C(C(C(OC(=C4c(c5)ccc(c5)O)C(=O)c(c(O4)3)c(O)cc(O)c3)O2)O)O)C)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/
40 44 0 0 0 0 0 0 0 0999 V2000
-4.2663 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2663 0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5652 -0.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8641 0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8641 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5652 1.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1631 -0.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4620 0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4620 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1631 1.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1631 -0.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7612 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0468 1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6677 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6677 2.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0468 2.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7612 2.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5652 -0.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9671 1.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3820 2.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9070 -0.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7452 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5368 -2.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2857 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5368 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7452 0.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9963 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9671 -0.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7849 -2.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3473 -2.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8624 -1.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3913 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0972 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 -0.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7873 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2760 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3364 -0.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3083 0.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8897 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0029 -0.0629 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 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
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
21 33 1 0 0 0 0
40 26 1 0 0 0 0
S SKP 5
ID FL5FAAGS0019
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C(O)1)(C(O)C(OC1OC(C2)C(C(C(OC(=C4c(c5)ccc(c5)O)C(=O)c(c(O4)3)c(O)cc(O)c3)O2)O)O)C)O
M END
