Mol:LBF20406SF03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 33 0 0 0 0 0 0 0 0999 V2000 | + | 34 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.1244 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.1244 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.9904 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.9904 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.9282 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.9282 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6602 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6602 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6602 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6602 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.0000 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 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 1 14 2 0 0 0 0 | + | 1 14 2 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 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 |
| − | 15 21 1 6 0 0 0 | + | 15 21 1 6 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 |
| − | 23 25 1 4 0 0 0 | + | 23 25 1 4 0 0 0 |
| − | 16 29 1 6 0 0 0 | + | 16 29 1 6 0 0 0 |
| − | 20 30 1 0 0 0 0 | + | 20 30 1 0 0 0 0 |
| − | 20 31 2 0 0 0 0 | + | 20 31 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 24 32 2 0 0 0 0 | + | 24 32 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
| − | 28 34 2 0 0 0 0 | + | 28 34 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406SF03 | + | ID LBF20406SF03 |
| − | FORMULA C25H40N2O6S | + | FORMULA C25H40N2O6S |
| − | EXACTMASS 496.260707712 | + | EXACTMASS 496.260707712 |
| − | AVERAGEMASS 496.66098 | + | AVERAGEMASS 496.66098 |
| − | SMILES C(=CC=CC=C[C@@H](SCC(C(=O)NCC(O)=O)N)[C@H](CCCC(O)=O)O)CC=CCCCCC | + | SMILES C(=CC=CC=C[C@@H](SCC(C(=O)NCC(O)=O)N)[C@H](CCCC(O)=O)O)CC=CCCCCC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 33 0 0 0 0 0 0 0 0999 V2000
9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9282 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7942 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6602 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6602 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
1 14 2 0 0 0 0
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 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
15 21 1 6 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 4 0 0 0
16 29 1 6 0 0 0
20 30 1 0 0 0 0
20 31 2 0 0 0 0
24 26 1 0 0 0 0
24 32 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 33 1 0 0 0 0
28 34 2 0 0 0 0
S SKP 5
ID LBF20406SF03
FORMULA C25H40N2O6S
EXACTMASS 496.260707712
AVERAGEMASS 496.66098
SMILES C(=CC=CC=C[C@@H](SCC(C(=O)NCC(O)=O)N)[C@H](CCCC(O)=O)O)CC=CCCCCC
M END
