Mol:FL3FEAGS0028
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 |
| − | -0.3323 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3323 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3323 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3323 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3297 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3297 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9918 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9918 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9918 -1.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9918 -1.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3297 -0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3297 -0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6538 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6538 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3158 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3158 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3158 -1.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3158 -1.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6538 -0.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6538 -0.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9058 -2.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9058 -2.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9776 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9776 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6524 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6524 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3271 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3271 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3271 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3271 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6524 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6524 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9776 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9776 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3297 -3.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3297 -3.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0093 -0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0093 -0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7671 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7671 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0103 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0103 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9205 -1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9205 -1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8691 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8691 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6332 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6332 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7463 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7463 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6837 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6837 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0017 -1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0017 -1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0473 -1.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0473 -1.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3788 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3788 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2209 1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2209 1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1128 1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1128 1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3044 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3044 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3561 2.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3561 2.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3716 2.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3716 2.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0231 1.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0231 1.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7263 0.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7263 0.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8457 0.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8457 0.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4591 1.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4591 1.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0340 3.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0340 3.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0454 -2.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0454 -2.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0017 0.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0017 0.3827 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 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 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 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 29 36 1 0 0 0 0 | + | 29 36 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 2 40 1 0 0 0 0 | + | 2 40 1 0 0 0 0 |
| − | 15 41 1 0 0 0 0 | + | 15 41 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0028 | + | ID FL3FEAGS0028 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES c(c1)(ccc(C(=C2)Oc(c3)c(c(c(c3OC(C5O)OC(C(C5O)O)COC(O4)C(O)C(C(O)C4)O)O)O)C2=O)c1)O | + | SMILES c(c1)(ccc(C(=C2)Oc(c3)c(c(c(c3OC(C5O)OC(C(C5O)O)COC(O4)C(O)C(C(O)C4)O)O)O)C2=O)c1)O |
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
-0.3323 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3323 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3297 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9918 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9918 -1.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3297 -0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6538 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3158 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3158 -1.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6538 -0.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9058 -2.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9776 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6524 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3271 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3271 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6524 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9776 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3297 -3.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0093 -0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7671 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0103 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9205 -1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8691 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6332 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7463 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6837 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0017 -1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0473 -1.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3788 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2209 1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1128 1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3044 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3561 2.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3716 2.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0231 1.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7263 0.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8457 0.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4591 1.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0340 3.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0454 -2.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0017 0.3827 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
19 1 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 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 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
25 29 1 0 0 0 0
23 19 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
29 36 1 0 0 0 0
33 39 1 0 0 0 0
2 40 1 0 0 0 0
15 41 1 0 0 0 0
S SKP 5
ID FL3FEAGS0028
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(c1)(ccc(C(=C2)Oc(c3)c(c(c(c3OC(C5O)OC(C(C5O)O)COC(O4)C(O)C(C(O)C4)O)O)O)C2=O)c1)O
M END
