Mol:LBST04030050
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | 5.4641 4.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 5.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 5.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 4.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 3.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.9019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.9019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9889 0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9889 0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3956 -0.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3956 -0.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3902 -0.5762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.3902 -0.5762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0593 -1.3193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.0593 -1.3193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.0374 -1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0374 -1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7503 -2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7503 -2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4194 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4194 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1104 -3.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1104 -3.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7795 -4.7077 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 5.7795 -4.7077 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.4705 -5.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4705 -5.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7577 -4.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7577 -4.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4924 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4924 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1396 -6.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1396 -6.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 6.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 6.4019 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 6 0 0 0 | + | 5 6 1 6 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 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 10 14 1 1 0 0 0 | + | 10 14 1 1 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 17 16 1 1 0 0 0 | + | 17 16 1 1 0 0 0 |
| − | 12 17 1 6 0 0 0 | + | 12 17 1 6 0 0 0 |
| − | 11 15 1 1 0 0 0 | + | 11 15 1 1 0 0 0 |
| − | 5 18 1 1 0 0 0 | + | 5 18 1 1 0 0 0 |
| − | 12 19 1 1 0 0 0 | + | 12 19 1 1 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 20 21 1 6 0 0 0 | + | 20 21 1 6 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 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 |
| − | 8 28 1 6 0 0 0 | + | 8 28 1 6 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 26 25 1 0 0 0 0 | + | 26 25 1 0 0 0 0 |
| − | 13 29 1 6 0 0 0 | + | 13 29 1 6 0 0 0 |
| − | 25 27 1 4 0 0 0 | + | 25 27 1 4 0 0 0 |
| − | 26 30 2 0 0 0 0 | + | 26 30 2 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 2 32 2 0 0 0 0 | + | 2 32 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST04030050 | + | ID LBST04030050 |
| − | FORMULA C27H44O5 | + | FORMULA C27H44O5 |
| − | EXACTMASS 448.318874518 | + | EXACTMASS 448.318874518 |
| − | AVERAGEMASS 448.63526 | + | AVERAGEMASS 448.63526 |
| − | SMILES [C@@H](C4)([C@]([C@H]([C@@H]([C@H]42)[C@@H](C[C@H](C3)[C@](CCC3=O)2C)O)1)(C)[C@H](CC1)[C@@H](CCCC(C(O)=O)C)C)O | + | SMILES [C@@H](C4)([C@]([C@H]([C@@H]([C@H]42)[C@@H](C[C@H](C3)[C@](CCC3=O)2C)O)1)(C)[C@H](CC1)[C@@H](CCCC(C(O)=O)C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
5.4641 4.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 3.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 3.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 1.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 2.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 0.9019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 0.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 0.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9889 0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3956 -0.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3902 -0.5762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0593 -1.3193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0374 -1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7503 -2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4194 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1104 -3.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7795 -4.7077 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4705 -5.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7577 -4.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4924 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1396 -6.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 6.4019 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 6 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
9 10 1 0 0 0 0
5 10 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
10 14 1 1 0 0 0
15 16 1 0 0 0 0
17 16 1 1 0 0 0
12 17 1 6 0 0 0
11 15 1 1 0 0 0
5 18 1 1 0 0 0
12 19 1 1 0 0 0
17 20 1 0 0 0 0
20 21 1 6 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
8 28 1 6 0 0 0
24 25 1 0 0 0 0
26 25 1 0 0 0 0
13 29 1 6 0 0 0
25 27 1 4 0 0 0
26 30 2 0 0 0 0
26 31 1 0 0 0 0
2 32 2 0 0 0 0
S SKP 5
ID LBST04030050
FORMULA C27H44O5
EXACTMASS 448.318874518
AVERAGEMASS 448.63526
SMILES [C@@H](C4)([C@]([C@H]([C@@H]([C@H]42)[C@@H](C[C@H](C3)[C@](CCC3=O)2C)O)1)(C)[C@H](CC1)[C@@H](CCCC(C(O)=O)C)C)O
M END
