Mol:FL5FACGS0020
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 |
| − | -3.1418 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1418 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1418 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1418 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4406 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4406 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7394 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7394 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7394 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7394 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4406 1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4406 1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0382 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0382 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0382 1.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0382 1.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0382 -0.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0382 -0.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3639 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3639 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0786 1.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0786 1.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7933 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7933 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7933 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7933 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0786 2.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0786 2.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3639 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3639 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8428 1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8428 1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4761 -0.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4761 -0.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4406 -0.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4406 -0.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5923 2.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5923 2.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8997 -1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8997 -1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1651 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1651 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3982 -1.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3982 -1.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1651 -2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1651 -2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8997 -2.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8997 -2.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6666 -2.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6666 -2.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8101 -0.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8101 -0.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1581 -2.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1581 -2.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7343 -2.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7343 -2.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3423 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3423 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9611 -0.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9611 -0.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8384 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8384 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5492 -0.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5492 -0.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3736 0.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3736 0.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9567 -0.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9567 -0.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8384 -0.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8384 -0.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5077 1.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5077 1.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8384 -1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8384 -1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8428 -1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8428 -1.5740 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 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 |
| − | 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 14 38 1 0 0 0 0 | + | 14 38 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 44 0.0000 0.6509 | + | M SBV 1 44 0.0000 0.6509 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0020 | + | ID FL5FACGS0020 |
| − | FORMULA C25H26O15 | + | FORMULA C25H26O15 |
| − | EXACTMASS 566.127170162 | + | EXACTMASS 566.127170162 |
| − | AVERAGEMASS 566.46494 | + | AVERAGEMASS 566.46494 |
| − | SMILES C(C(O)5)(C(OCC5O)OC(C2=O)=C(c(c4)cc(c(c4)O)O)Oc(c3)c2c(O)cc3O)OC(C(O)1)OCC1(O)CO | + | SMILES C(C(O)5)(C(OCC5O)OC(C2=O)=C(c(c4)cc(c(c4)O)O)Oc(c3)c2c(O)cc3O)OC(C(O)1)OCC1(O)CO |
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
-3.1418 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1418 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4406 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7394 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7394 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4406 1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0382 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0382 1.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0382 -0.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3639 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0786 1.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7933 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7933 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0786 2.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3639 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8428 1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4761 -0.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4406 -0.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5923 2.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8997 -1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1651 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3982 -1.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1651 -2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8997 -2.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6666 -2.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8101 -0.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1581 -2.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7343 -2.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3423 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9611 -0.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5492 -0.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 0.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9567 -0.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 -0.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 1.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 -1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8428 -1.5740 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 19 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 31 1 0 0 0 0
32 36 1 0 0 0 0
33 37 1 0 0 0 0
28 31 1 0 0 0 0
14 38 1 0 0 0 0
39 40 1 0 0 0 0
33 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 0.0000 0.6509
S SKP 5
ID FL5FACGS0020
FORMULA C25H26O15
EXACTMASS 566.127170162
AVERAGEMASS 566.46494
SMILES C(C(O)5)(C(OCC5O)OC(C2=O)=C(c(c4)cc(c(c4)O)O)Oc(c3)c2c(O)cc3O)OC(C(O)1)OCC1(O)CO
M END
