Mol:LBST03010048
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 10.0798 3.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0798 3.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.0798 4.4065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 10.0798 4.4065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 9.2137 4.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2137 4.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3477 4.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3477 4.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3477 3.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3477 3.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2137 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2137 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4817 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4817 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3477 1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3477 1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2137 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2137 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4817 -0.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.4817 -0.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.3477 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3477 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4817 -1.0935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.4817 -1.0935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.3477 -1.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3477 -1.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2137 -1.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2137 -1.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2137 -0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2137 -0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5306 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5306 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9428 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9428 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5306 -1.4025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.5306 -1.4025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.9344 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9344 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2435 -2.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2435 -2.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2216 -2.3536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.2216 -2.3536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.7702 -2.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7702 -2.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 -3.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 -3.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9563 -3.7204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.9563 -3.7204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.4817 -2.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4817 -2.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1861 -4.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1861 -4.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8907 -3.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8907 -3.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7484 -2.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7484 -2.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9458 4.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9458 4.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1642 -4.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1642 -4.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.1363 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 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 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 5 7 2 0 0 0 0 | + | 5 7 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 6 9 2 0 0 0 0 | + | 6 9 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 12 13 1 6 0 0 0 | + | 12 13 1 6 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 11 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
| − | 10 16 1 1 0 0 0 | + | 10 16 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 17 1 1 0 0 0 | + | 18 17 1 1 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 12 25 1 1 0 0 0 | + | 12 25 1 1 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 21 27 1 6 0 0 0 | + | 21 27 1 6 0 0 0 |
| − | 2 29 1 6 0 0 0 | + | 2 29 1 6 0 0 0 |
| − | 24 28 1 6 0 0 0 | + | 24 28 1 6 0 0 0 |
| − | 24 30 1 1 0 0 0 | + | 24 30 1 1 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03010048 | + | ID LBST03010048 |
| − | FORMULA C28H44O3 | + | FORMULA C28H44O3 |
| − | EXACTMASS 428.329045274 | + | EXACTMASS 428.329045274 |
| − | AVERAGEMASS 428.64716 | + | AVERAGEMASS 428.64716 |
| − | SMILES C(C(=CC=C(C3)C(=C)CC[C@@H]3O)1)CC[C@](C)([C@H]2[C@H](C)C=C[C@](C)(O)C(C)(C)O)[C@@H](CC2)1 | + | SMILES C(C(=CC=C(C3)C(=C)CC[C@@H]3O)1)CC[C@](C)([C@H]2[C@H](C)C=C[C@](C)(O)C(C)(C)O)[C@@H](CC2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
10.0798 3.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0798 4.4065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.2137 4.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3477 4.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3477 3.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2137 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4817 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3477 1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2137 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4817 -0.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3477 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4817 -1.0935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3477 -1.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2137 -1.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2137 -0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5306 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9428 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5306 -1.4025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9344 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2435 -2.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2216 -2.3536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7702 -2.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 -3.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9563 -3.7204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4817 -2.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1861 -4.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8907 -3.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7484 -2.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9458 4.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1642 -4.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.1363 0.0000 O 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 0 0 0 0
1 6 1 0 0 0 0
5 7 2 0 0 0 0
8 9 1 0 0 0 0
6 9 2 0 0 0 0
10 11 1 0 0 0 0
8 11 2 0 0 0 0
10 12 1 0 0 0 0
12 13 1 6 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
11 15 1 0 0 0 0
10 16 1 1 0 0 0
16 17 1 0 0 0 0
18 17 1 1 0 0 0
12 18 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
19 24 1 0 0 0 0
18 21 1 0 0 0 0
12 25 1 1 0 0 0
23 26 1 0 0 0 0
21 27 1 6 0 0 0
2 29 1 6 0 0 0
24 28 1 6 0 0 0
24 30 1 1 0 0 0
23 31 1 0 0 0 0
S SKP 5
ID LBST03010048
FORMULA C28H44O3
EXACTMASS 428.329045274
AVERAGEMASS 428.64716
SMILES C(C(=CC=C(C3)C(=C)CC[C@@H]3O)1)CC[C@](C)([C@H]2[C@H](C)C=C[C@](C)(O)C(C)(C)O)[C@@H](CC2)1
M END
