Mol:FL3FADCS0021
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.3196 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3196 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6051 1.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6051 1.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1094 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1094 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1094 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1094 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6051 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6051 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3196 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3196 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8238 1.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8238 1.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5382 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5382 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5382 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5382 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8238 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8238 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1839 1.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1839 1.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8238 -1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8238 -1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6051 -0.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6051 -0.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1013 1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1013 1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8157 0.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8157 0.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5302 1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5302 1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5302 2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5302 2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8157 2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8157 2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1013 2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1013 2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1454 2.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1454 2.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1844 0.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1844 0.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0148 0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0148 0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4273 -0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4273 -0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6341 -0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6341 -0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8360 -0.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8360 -0.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4234 0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4234 0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2167 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2167 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8402 -0.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8402 -0.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3721 -1.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3721 -1.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9407 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9407 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9098 -0.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9098 -0.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1282 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1282 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5408 -1.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5408 -1.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7473 -1.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7473 -1.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9490 -1.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9490 -1.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5363 -1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5363 -1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3299 -1.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3299 -1.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8918 -2.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8918 -2.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1795 -2.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1795 -2.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0564 -1.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0564 -1.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7595 -1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7595 -1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8402 1.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8402 1.3225 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 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 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 26 9 1 0 0 0 0 | + | 26 9 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 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 |
| − | 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 |
| − | 35 34 1 1 0 0 0 | + | 35 34 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 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 21 42 1 0 0 0 0 | + | 21 42 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FADCS0021 | + | ID FL3FADCS0021 |
| − | FORMULA C28H32O14 | + | FORMULA C28H32O14 |
| − | EXACTMASS 592.179205732 | + | EXACTMASS 592.179205732 |
| − | AVERAGEMASS 592.54528 | + | AVERAGEMASS 592.54528 |
| − | SMILES c(c(C(O5)=CC(c(c25)c(O)c(C(O4)C(C(O)C(C4C)O)OC(C3O)OC(C)C(C(O)3)O)c(c2)O)=O)1)cc(c(OC)c1)O | + | SMILES c(c(C(O5)=CC(c(c25)c(O)c(C(O4)C(C(O)C(C4C)O)OC(C3O)OC(C)C(C(O)3)O)c(c2)O)=O)1)cc(c(OC)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
1.3196 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6051 1.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1094 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1094 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6051 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3196 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8238 1.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5382 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5382 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8238 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1839 1.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8238 -1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6051 -0.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1013 1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8157 0.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5302 1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5302 2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8157 2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1013 2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1454 2.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1844 0.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0148 0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4273 -0.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6341 -0.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8360 -0.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4234 0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2167 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8402 -0.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3721 -1.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9407 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9098 -0.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1282 -1.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5408 -1.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7473 -1.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9490 -1.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5363 -1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3299 -1.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8918 -2.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1795 -2.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0564 -1.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7595 -1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8402 1.3225 0.0000 C 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
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
26 9 1 0 0 0 0
22 28 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
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 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
35 38 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
32 41 1 0 0 0 0
36 31 1 0 0 0 0
21 42 1 0 0 0 0
S SKP 5
ID FL3FADCS0021
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES c(c(C(O5)=CC(c(c25)c(O)c(C(O4)C(C(O)C(C4C)O)OC(C3O)OC(C)C(C(O)3)O)c(c2)O)=O)1)cc(c(OC)c1)O
M END
