Mol:FL3FACCS0051
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.2481 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2481 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5336 0.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5336 0.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8192 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8192 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8192 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8192 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5336 -0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5336 -0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2481 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2481 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1047 0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1047 0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6098 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6098 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6098 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6098 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1047 -0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1047 -0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2555 0.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2555 0.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1047 -1.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1047 -1.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5336 -1.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5336 -1.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0299 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0299 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7443 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7443 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4588 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4588 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4588 1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4588 1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7443 2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7443 2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0299 1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0299 1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0740 2.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0740 2.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4137 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4137 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4152 -0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4152 -0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0026 -0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0026 -0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2043 -0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2043 -0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8233 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8233 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6217 -0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6217 -0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0219 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0219 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6834 0.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6834 0.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0352 -0.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0352 -0.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6595 -0.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6595 -0.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7019 -1.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7019 -1.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1130 0.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1130 0.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8901 -1.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8901 -1.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4776 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4776 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6795 -1.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6795 -1.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8863 -1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8863 -1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2987 -1.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2987 -1.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0969 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0969 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7347 -0.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7347 -0.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1130 -1.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1130 -1.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3364 -2.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3364 -2.1828 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 1 0 0 0 0 | + | 2 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 9 1 0 0 0 0 | + | 21 9 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 21 24 1 1 0 0 0 | + | 21 24 1 1 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 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 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0051 | + | ID FL3FACCS0051 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES c(c3O)(c(cc(O4)c(C(C=C(c(c5)ccc(c5O)O)4)=O)3)O)C(C1OC(O2)C(C(O)C(O)C2)O)OC(CO)C(O)C1O | + | SMILES c(c3O)(c(cc(O4)c(C(C=C(c(c5)ccc(c5O)O)4)=O)3)O)C(C1OC(O2)C(C(O)C(O)C2)O)OC(CO)C(O)C1O |
M END | M END | ||
| − | |||
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
2.2481 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5336 0.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8192 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8192 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5336 -0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2481 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1047 0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6098 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6098 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1047 -0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2555 0.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1047 -1.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5336 -1.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0299 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7443 0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4588 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4588 1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7443 2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0299 1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0740 2.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4137 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4152 -0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0026 -0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2043 -0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8233 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6217 -0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0219 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6834 0.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0352 -0.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6595 -0.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7019 -1.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1130 0.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8901 -1.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4776 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6795 -1.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8863 -1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2987 -1.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0969 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7347 -0.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1130 -1.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3364 -2.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
21 9 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 26 1 0 0 0 0
26 22 1 0 0 0 0
26 27 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
16 32 1 0 0 0 0
21 24 1 1 0 0 0
21 25 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 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 31 1 0 0 0 0
S SKP 5
ID FL3FACCS0051
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(c3O)(c(cc(O4)c(C(C=C(c(c5)ccc(c5O)O)4)=O)3)O)C(C1OC(O2)C(C(O)C(O)C2)O)OC(CO)C(O)C1O
M END
