Mol:LBPR01070197
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 43 0 0 0 0 0 0 0 0999 V2000 | + | 42 43 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.8660 -7.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.8660 -7.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9282 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9282 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.7942 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7942 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.7942 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7942 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6603 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6603 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6603 7.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 11.6603 7.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6603 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6603 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.5263 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5263 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.5263 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5263 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6603 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6603 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.7942 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7942 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.7942 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7942 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9282 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9282 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 -6.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 -6.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.0263 6.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.0263 6.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.5263 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.5263 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6603 10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6603 10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 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 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 25 1 1 0 0 0 0 | + | 25 1 1 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 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 1 1 0 0 0 0 | + | 29 1 1 0 0 0 0 |
| − | 30 20 1 0 0 0 0 | + | 30 20 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 20 34 1 0 0 0 0 | + | 20 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 29 36 1 0 0 0 0 | + | 29 36 1 0 0 0 0 |
| − | 25 37 1 0 0 0 0 | + | 25 37 1 0 0 0 0 |
| − | 30 38 1 0 0 0 0 | + | 30 38 1 0 0 0 0 |
| − | 25 39 1 0 0 0 0 | + | 25 39 1 0 0 0 0 |
| − | 30 40 1 0 0 0 0 | + | 30 40 1 0 0 0 0 |
| − | 32 41 2 0 0 0 0 | + | 32 41 2 0 0 0 0 |
| − | 27 42 2 0 0 0 0 | + | 27 42 2 0 0 0 0 |
| − | 1 2 1 1 0 0 0 | + | 1 2 1 1 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBPR01070197 | + | ID LBPR01070197 |
| − | FORMULA C40H52O2 | + | FORMULA C40H52O2 |
| − | EXACTMASS 564.396730908 | + | EXACTMASS 564.396730908 |
| − | AVERAGEMASS 564.8396799999999 | + | AVERAGEMASS 564.8396799999999 |
| − | SMILES C(=CC=C(C=CC=C(C)C=C[C@@H](C(C)=2)C(C)(C)CC(C2)=O)C)C=C(C=CC=C(C)C=C[C@@H](C(C)=1)C(C)(C)CC(C1)=O)C | + | SMILES C(=CC=C(C=CC=C(C)C=C[C@@H](C(C)=2)C(C)(C)CC(C2)=O)C)C=C(C=CC=C(C)C=C[C@@H](C(C)=1)C(C)(C)CC(C1)=O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 43 0 0 0 0 0 0 0 0999 V2000
3.8660 -7.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8660 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6603 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6603 7.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6603 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5263 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5263 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6603 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -6.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0263 6.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5263 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6603 10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
4 21 1 0 0 0 0
8 22 1 0 0 0 0
13 23 1 0 0 0 0
17 24 1 0 0 0 0
25 1 1 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 2 0 0 0 0
29 1 1 0 0 0 0
30 20 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
20 34 1 0 0 0 0
34 35 1 0 0 0 0
29 36 1 0 0 0 0
25 37 1 0 0 0 0
30 38 1 0 0 0 0
25 39 1 0 0 0 0
30 40 1 0 0 0 0
32 41 2 0 0 0 0
27 42 2 0 0 0 0
1 2 1 1 0 0 0
20 19 1 1 0 0 0
S SKP 5
ID LBPR01070197
FORMULA C40H52O2
EXACTMASS 564.396730908
AVERAGEMASS 564.8396799999999
SMILES C(=CC=C(C=CC=C(C)C=C[C@@H](C(C)=2)C(C)(C)CC(C2)=O)C)C=C(C=CC=C(C)C=C[C@@H](C(C)=1)C(C)(C)CC(C1)=O)C
M END
