Mol:FL3FECGS0019
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.4158 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4158 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4158 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4158 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7804 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7804 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1448 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1448 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1448 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1448 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7804 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7804 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4907 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4907 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1261 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1261 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1261 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1261 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4907 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4907 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4907 -1.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4907 -1.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7614 0.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7614 0.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4092 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4092 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0569 0.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0569 0.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0569 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0569 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4092 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4092 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7614 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7614 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4092 2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4092 2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6409 1.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6409 1.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7804 -2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7804 -2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0499 0.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0499 0.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0499 -1.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0499 -1.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6862 0.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6862 0.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9597 -0.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9597 -0.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9136 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9136 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9042 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9042 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6377 0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6377 0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5529 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5529 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4986 1.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4986 1.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7814 -0.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7814 -0.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1770 -0.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1770 -0.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4152 -0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4152 -0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3004 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3004 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0194 0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0194 0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3004 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3004 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4152 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4152 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6960 0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6960 0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7814 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7814 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5202 -1.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5202 -1.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0882 -1.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0882 -1.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5852 -0.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5852 -0.4201 0.0000 C 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 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 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 36 19 1 0 0 0 0 | + | 36 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0019 | + | ID FL3FECGS0019 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES O=C(c13)C=C(c(c4)ccc(OC(C5O)OC(C(O)C5O)C)c(O)4)Oc(cc(c(O)c3O)OC(O2)C(O)C(O)C(C2)O)1 | + | SMILES O=C(c13)C=C(c(c4)ccc(OC(C5O)OC(C(O)C5O)C)c(O)4)Oc(cc(c(O)c3O)OC(O2)C(O)C(O)C(C2)O)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
-1.4158 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4158 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1448 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1448 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1261 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1261 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 -1.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7614 0.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4092 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0569 0.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0569 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4092 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7614 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4092 2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6409 1.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 -2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0499 0.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0499 -1.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6862 0.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9597 -0.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9136 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9042 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6377 0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5529 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4986 1.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7814 -0.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1770 -0.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4152 -0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3004 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0194 0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3004 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4152 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6960 0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7814 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5202 -1.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0882 -1.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5852 -0.4201 0.0000 C 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 21 1 0 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 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 19 1 0 0 0 0
S SKP 5
ID FL3FECGS0019
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES O=C(c13)C=C(c(c4)ccc(OC(C5O)OC(C(O)C5O)C)c(O)4)Oc(cc(c(O)c3O)OC(O2)C(O)C(O)C(C2)O)1
M END
