Mol:LBST03010039
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | 8.5446 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5446 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5446 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5446 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6786 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 -0.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.8126 -0.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 0.8394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.8126 0.8394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 1.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6786 1.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8615 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8615 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2737 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2737 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8615 1.1484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.8615 1.1484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 -1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6786 -1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8126 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2653 3.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2653 3.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5743 2.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5743 2.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5525 2.0995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5525 2.0995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 4.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 4.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2872 3.4664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2872 3.4664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.2216 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2216 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5446 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5446 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4106 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4106 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6786 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6786 -4.6606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.6786 -4.6606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.5446 -5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5446 -5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4106 -4.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4106 -4.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5446 -2.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.5446 -2.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.4106 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4106 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6180 2.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6180 2.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8126 -5.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8126 -5.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4106 -1.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4106 -1.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2767 -2.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2767 -2.1606 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 1 0 0 0 | + | 5 6 1 1 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 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 3 10 2 0 0 0 0 | + | 3 10 2 0 0 0 0 |
| − | 5 11 1 6 0 0 0 | + | 5 11 1 6 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 |
| − | 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 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 14 1 0 0 0 0 |
| − | 14 18 1 1 0 0 0 | + | 14 18 1 1 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 23 29 1 6 0 0 0 | + | 23 29 1 6 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 10 26 1 0 0 0 0 | + | 10 26 1 0 0 0 0 |
| − | 21 27 2 0 0 0 0 | + | 21 27 2 0 0 0 0 |
| − | 26 30 1 6 0 0 0 | + | 26 30 1 6 0 0 0 |
| − | 17 28 1 6 0 0 0 | + | 17 28 1 6 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03010039 | + | ID LBST03010039 |
| − | FORMULA C28H44O3 | + | FORMULA C28H44O3 |
| − | EXACTMASS 428.329045274 | + | EXACTMASS 428.329045274 |
| − | AVERAGEMASS 428.64716 | + | AVERAGEMASS 428.64716 |
| − | SMILES C(C2=C[C@@H](C(=C3)C(CC[C@H](O)3)=C)OO)CC[C@]([C@H]21)(C)[C@@H]([C@H](C)C=C[C@@H](C(C)C)C)CC1 | + | SMILES C(C2=C[C@@H](C(=C3)C(CC[C@H](O)3)=C)OO)CC[C@]([C@H]21)(C)[C@@H]([C@H](C)C=C[C@@H](C(C)C)C)CC1 |
M END | M END | ||
| − | |||
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
8.5446 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5446 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6786 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 -0.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8126 0.8394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6786 1.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8615 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2737 0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8615 1.1484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6786 -1.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 3.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 2.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5525 2.0995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6473 5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 4.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 3.4664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2216 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5446 -3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4106 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6786 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6786 -4.6606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5446 -5.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4106 -4.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5446 -2.1606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.4106 -3.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6180 2.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 -5.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4106 -1.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2767 -2.1606 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 1 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
5 9 1 0 0 0 0
3 10 2 0 0 0 0
5 11 1 6 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
12 17 1 0 0 0 0
9 14 1 0 0 0 0
14 18 1 1 0 0 0
16 19 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
21 25 1 0 0 0 0
23 29 1 6 0 0 0
20 26 1 0 0 0 0
10 26 1 0 0 0 0
21 27 2 0 0 0 0
26 30 1 6 0 0 0
17 28 1 6 0 0 0
30 31 1 0 0 0 0
S SKP 5
ID LBST03010039
FORMULA C28H44O3
EXACTMASS 428.329045274
AVERAGEMASS 428.64716
SMILES C(C2=C[C@@H](C(=C3)C(CC[C@H](O)3)=C)OO)CC[C@]([C@H]21)(C)[C@@H]([C@H](C)C=C[C@@H](C(C)C)C)CC1
M END
