Mol:LBST03010008
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 2 0 0 0 0 0 0 0 0 0 | + | 7.9077 0.5690 0.0000 C 0 0 2 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 |
| − | 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 |
| − | 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 |
| − | 5.3334 2.8869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.3334 2.8869 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 0 0 0 0 0 0 0 0 0 0 | + | 11.4568 -5.2401 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 | + | 11.4568 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.4568 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.4568 -4.2401 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 |
| − | 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 |
| − | 4.6642 2.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6642 2.1437 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 |
| − | 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 |
| − | 4 5 1 0 0 0 0 | + | 4 5 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 |
| − | 9 8 1 6 0 0 0 | + | 9 8 1 6 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 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 |
| − | 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 21 29 1 6 0 0 0 | + | 21 29 1 6 0 0 0 |
| − | 9 16 1 0 0 0 0 | + | 9 16 1 0 0 0 0 |
| − | 16 26 1 1 0 0 0 | + | 16 26 1 1 0 0 0 |
| − | 18 30 1 0 0 0 0 | + | 18 30 1 0 0 0 0 |
| − | 18 27 1 0 0 0 0 | + | 18 27 1 0 0 0 0 |
| − | 19 28 1 6 0 0 0 | + | 19 28 1 6 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 |
| − | 17 34 1 0 0 0 0 | + | 17 34 1 0 0 0 0 |
| − | 17 35 1 0 0 0 0 | + | 17 35 1 0 0 0 0 |
| − | 17 36 1 0 0 0 0 | + | 17 36 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03010008 | + | ID LBST03010008 |
| − | FORMULA C28H38F6O2 | + | FORMULA C28H38F6O2 |
| − | EXACTMASS 520.27759966 | + | EXACTMASS 520.27759966 |
| − | AVERAGEMASS 520.5905392 | + | AVERAGEMASS 520.5905392 |
| − | SMILES C(F)(F)(F)C(O)([C@@H](C)C=C[C@H]([C@@H](C3)[C@](C2)(C)[C@@H](C3)C(CC2)=CC=C(C1)C(=C)CC[C@@H]1O)C)C(F)(F)F | + | SMILES C(F)(F)(F)C(O)([C@@H](C)C=C[C@H]([C@@H](C3)[C@](C2)(C)[C@@H](C3)C(CC2)=CC=C(C1)C(=C)CC[C@@H]1O)C)C(F)(F)F |
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 2 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
2.9511 3.1643 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
5.3334 2.8869 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 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
12.4568 -4.2401 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
4.7153 4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6642 2.1437 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
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
4 5 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
9 8 1 6 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 2 0 0 0 0
15 16 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
14 19 1 0 0 0 0
12 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
12 24 1 0 0 0 0
24 25 2 0 0 0 0
21 29 1 6 0 0 0
9 16 1 0 0 0 0
16 26 1 1 0 0 0
18 30 1 0 0 0 0
18 27 1 0 0 0 0
19 28 1 6 0 0 0
27 31 1 0 0 0 0
27 32 1 0 0 0 0
27 33 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
17 36 1 0 0 0 0
S SKP 5
ID LBST03010008
FORMULA C28H38F6O2
EXACTMASS 520.27759966
AVERAGEMASS 520.5905392
SMILES C(F)(F)(F)C(O)([C@@H](C)C=C[C@H]([C@@H](C3)[C@](C2)(C)[C@@H](C3)C(CC2)=CC=C(C1)C(=C)CC[C@@H]1O)C)C(F)(F)F
M END
