Mol:LBF20406SF07
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 38 0 0 0 0 0 0 0 0999 V2000 | + | 39 38 0 0 0 0 0 0 0 0999 V2000 |
| − | 10.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.0622 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.0622 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -6.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 -6.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.1244 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.1244 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 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 |
| − | 8 32 1 6 0 0 0 | + | 8 32 1 6 0 0 0 |
| − | 7 12 1 6 0 0 0 | + | 7 12 1 6 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 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 14 17 1 6 0 0 0 | + | 14 17 1 6 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 1 0 0 0 | + | 20 22 1 1 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 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 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 16 33 1 0 0 0 0 | + | 16 33 1 0 0 0 0 |
| − | 16 34 2 0 0 0 0 | + | 16 34 2 0 0 0 0 |
| − | 15 35 1 0 0 0 0 | + | 15 35 1 0 0 0 0 |
| − | 15 36 2 0 0 0 0 | + | 15 36 2 0 0 0 0 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | 31 18 1 0 0 0 0 | + | 31 18 1 0 0 0 0 |
| − | 31 37 2 0 0 0 0 | + | 31 37 2 0 0 0 0 |
| − | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
| − | 21 39 2 0 0 0 0 | + | 21 39 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20406SF07 | + | ID LBF20406SF07 |
| − | FORMULA C28H44N2O8S | + | FORMULA C28H44N2O8S |
| − | EXACTMASS 568.281837084 | + | EXACTMASS 568.281837084 |
| − | AVERAGEMASS 568.72364 | + | AVERAGEMASS 568.72364 |
| − | SMILES C([C@H](O)[C@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)C=CC=CC=CCC=CCCCCC)CCC(O)=O | + | SMILES C([C@H](O)[C@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)C=CC=CC=CCC=CCCCCC)CCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 38 0 0 0 0 0 0 0 0999 V2000
10.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9282 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
7 6 1 0 0 0 0
7 8 1 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
8 32 1 6 0 0 0
7 12 1 6 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
11 16 1 0 0 0 0
14 17 1 6 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 1 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
16 33 1 0 0 0 0
16 34 2 0 0 0 0
15 35 1 0 0 0 0
15 36 2 0 0 0 0
17 31 1 0 0 0 0
31 18 1 0 0 0 0
31 37 2 0 0 0 0
21 38 1 0 0 0 0
21 39 2 0 0 0 0
S SKP 5
ID LBF20406SF07
FORMULA C28H44N2O8S
EXACTMASS 568.281837084
AVERAGEMASS 568.72364
SMILES C([C@H](O)[C@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)C=CC=CC=CCC=CCCCCC)CCC(O)=O
M END
