Mol:LBST03020099
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
| − | 8.8265 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8265 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8265 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8265 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9605 -1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9605 -1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0945 -0.7401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.0945 -0.7401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.0945 0.2599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.0945 0.2599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.9605 0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9605 0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1434 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1434 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5556 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5556 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1434 0.5690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.1434 0.5690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.9605 -2.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9605 -2.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8265 -2.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8265 -2.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8265 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8265 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0945 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0945 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5472 2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5472 2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8563 1.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8563 1.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8344 1.5200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.8344 1.5200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.2601 3.8379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.2601 3.8379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.5691 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5691 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9605 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9605 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9605 -5.2401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.9605 -5.2401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.8265 -5.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8265 -5.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6926 -5.2401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.6926 -5.2401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.6926 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6926 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5586 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5586 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5035 2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5035 2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2111 4.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2111 4.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0945 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0945 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5586 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5586 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3090 3.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3090 3.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9021 5.0980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 5.0980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.4800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.4800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6420 5.7401 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6420 5.7401 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 |
| − | 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 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 |
| − | 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 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 20 28 1 6 0 0 0 | + | 20 28 1 6 0 0 0 |
| − | 9 16 1 0 0 0 0 | + | 9 16 1 0 0 0 0 |
| − | 22 29 1 1 0 0 0 | + | 22 29 1 1 0 0 0 |
| − | 16 25 1 1 0 0 0 | + | 16 25 1 1 0 0 0 |
| − | 17 30 1 6 0 0 0 | + | 17 30 1 6 0 0 0 |
| − | 17 26 1 1 0 0 0 | + | 17 26 1 1 0 0 0 |
| − | 17 27 1 0 0 0 0 | + | 17 27 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03020099 | + | ID LBST03020099 |
| − | FORMULA C27H39F3O3 | + | FORMULA C27H39F3O3 |
| − | EXACTMASS 468.28512971400005 | + | EXACTMASS 468.28512971400005 |
| − | AVERAGEMASS 468.5919696 | + | AVERAGEMASS 468.5919696 |
| − | SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C(C2)[C@@H]([C@](CC2)1C)CC[C@@H]1[C@H](C)C=CC[C@@](C(F)(F)F)(C)O | + | SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C(C2)[C@@H]([C@](CC2)1C)CC[C@@H]1[C@H](C)C=CC[C@@](C(F)(F)F)(C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
8.8265 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8265 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9605 -1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0945 -0.7401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0945 0.2599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9605 0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1434 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5556 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1434 0.5690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9605 -2.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8265 -2.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8265 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0945 1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5472 2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8563 1.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8344 1.5200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2601 3.8379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5691 2.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9605 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9605 -5.2401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8265 -5.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6926 -5.2401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6926 -4.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5586 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5035 2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2111 4.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0945 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5586 -5.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 3.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 5.0980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.4800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 5.7401 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
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
14 18 1 0 0 0 0
12 19 1 0 0 0 0
19 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
12 23 1 0 0 0 0
23 24 2 0 0 0 0
20 28 1 6 0 0 0
9 16 1 0 0 0 0
22 29 1 1 0 0 0
16 25 1 1 0 0 0
17 30 1 6 0 0 0
17 26 1 1 0 0 0
17 27 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
S SKP 5
ID LBST03020099
FORMULA C27H39F3O3
EXACTMASS 468.28512971400005
AVERAGEMASS 468.5919696
SMILES [C@@H](O)(C3)C(=C)C(C[C@@H](O)3)=CC=C(C2)[C@@H]([C@](CC2)1C)CC[C@@H]1[C@H](C)C=CC[C@@](C(F)(F)F)(C)O
M END
