Mol:LBST03020078
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 38 0 0 0 0 0 0 0 0999 V2000 | + | 36 38 0 0 0 0 0 0 0 0999 V2000 |
| − | 10.5908 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5908 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5908 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5908 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7248 -1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7248 -1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8588 -0.7401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.8588 -0.7401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.8588 0.2599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.8588 0.2599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 9.7248 0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7248 0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9077 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9077 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3199 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3199 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9077 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9077 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7248 -2.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7248 -2.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5908 -2.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5908 -2.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5908 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5908 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8588 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8588 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3115 2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3115 2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6205 1.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6205 1.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5987 1.5200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.5987 1.5200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.7248 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7248 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7248 -5.2401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.7248 -5.2401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 10.5908 -5.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5908 -5.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.4568 -5.2401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.4568 -5.2401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.4568 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.4568 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3229 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3229 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2678 2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2678 2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3334 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3334 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0244 3.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0244 3.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 3.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 3.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7153 4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7153 4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8588 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8588 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3229 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3229 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9754 4.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9754 4.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7643 4.4800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7643 4.4800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6664 5.0980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6664 5.0980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4063 5.7401 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4063 5.7401 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2601 2.2132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2601 2.2132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6420 4.1153 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6420 4.1153 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.8553 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.8553 0.0000 F 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 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 5 6 1 1 0 0 0 | + | 5 6 1 1 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 4 7 1 6 0 0 0 | + | 4 7 1 6 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 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 3 10 2 0 0 0 0 | + | 3 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 5 13 1 6 0 0 0 | + | 5 13 1 6 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 18 28 1 6 0 0 0 | + | 18 28 1 6 0 0 0 |
| − | 20 29 1 1 0 0 0 | + | 20 29 1 1 0 0 0 |
| − | 16 23 1 1 0 0 0 | + | 16 23 1 1 0 0 0 |
| − | 14 24 3 0 0 0 0 | + | 14 24 3 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 9 16 1 0 0 0 0 | + | 9 16 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 26 35 1 0 0 0 0 | + | 26 35 1 0 0 0 0 |
| − | 26 36 1 0 0 0 0 | + | 26 36 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03020078 | + | ID LBST03020078 |
| − | FORMULA C27H32F6O3 | + | FORMULA C27H32F6O3 |
| − | EXACTMASS 518.22556409 | + | EXACTMASS 518.22556409 |
| − | AVERAGEMASS 518.5315992000001 | + | AVERAGEMASS 518.5315992000001 |
| − | SMILES C(C2)CC(=CC=C(C3)C(=C)[C@@H](O)C[C@H](O)3)[C@@H]([C@@](C)12)CC=C([C@H](C)CC#CC(O)(C(F)(F)F)C(F)(F)F)1 | + | SMILES C(C2)CC(=CC=C(C3)C(=C)[C@@H](O)C[C@H](O)3)[C@@H]([C@@](C)12)CC=C([C@H](C)CC#CC(O)(C(F)(F)F)C(F)(F)F)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
10.5908 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5908 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7248 -1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8588 -0.7401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8588 0.2599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7248 0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9077 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3199 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9077 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7248 -2.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5908 -2.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5908 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8588 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3115 2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6205 1.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5987 1.5200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.7248 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7248 -5.2401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.5908 -5.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4568 -5.2401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.4568 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3229 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2678 2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3334 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0244 3.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 3.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7153 4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8588 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3229 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9754 4.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7643 4.4800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.6664 5.0980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.4063 5.7401 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 2.2132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 4.1153 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8553 0.0000 F 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 1 0 0 0 0
5 4 1 0 0 0 0
5 6 1 1 0 0 0
1 6 1 0 0 0 0
4 7 1 6 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
5 9 1 0 0 0 0
3 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
5 13 1 6 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
12 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
12 21 1 0 0 0 0
21 22 2 0 0 0 0
18 28 1 6 0 0 0
20 29 1 1 0 0 0
16 23 1 1 0 0 0
14 24 3 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 30 1 0 0 0 0
25 27 1 0 0 0 0
9 16 1 0 0 0 0
27 31 1 0 0 0 0
27 32 1 0 0 0 0
27 33 1 0 0 0 0
26 34 1 0 0 0 0
26 35 1 0 0 0 0
26 36 1 0 0 0 0
S SKP 5
ID LBST03020078
FORMULA C27H32F6O3
EXACTMASS 518.22556409
AVERAGEMASS 518.5315992000001
SMILES C(C2)CC(=CC=C(C3)C(=C)[C@@H](O)C[C@H](O)3)[C@@H]([C@@](C)12)CC=C([C@H](C)CC#CC(O)(C(F)(F)F)C(F)(F)F)1
M END
