Mol:LBST03010050
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | 10.3888 3.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.3888 3.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.3888 4.4969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 10.3888 4.4969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 9.5227 4.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5227 4.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6567 4.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6567 4.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6567 3.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6567 3.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5227 2.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5227 2.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7907 2.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7907 2.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6567 1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6567 1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5227 1.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5227 1.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7907 -0.0031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.7907 -0.0031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.6567 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6567 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7907 -1.0031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.7907 -1.0031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.6567 -1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6567 -1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5227 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5227 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5227 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5227 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8396 0.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8396 0.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2519 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2519 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8396 -1.3121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.8396 -1.3121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.2435 -3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2435 -3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5525 -2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5525 -2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5306 -2.2632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.5306 -2.2632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.6180 -3.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6180 -3.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2872 -3.8379 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.2872 -3.8379 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.2653 -3.6300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.2653 -3.6300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.7907 -2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7907 -2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 -4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 -4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1998 -3.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1998 -3.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0574 -2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0574 -2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.2548 4.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.2548 4.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4732 -4.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4732 -4.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.9969 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 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 5 7 2 0 0 0 0 | + | 5 7 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 6 9 2 0 0 0 0 | + | 6 9 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 12 13 1 6 0 0 0 | + | 12 13 1 6 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 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
| − | 10 16 1 1 0 0 0 | + | 10 16 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 17 1 1 0 0 0 | + | 18 17 1 1 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 23 22 1 4 0 0 0 | + | 23 22 1 4 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 12 25 1 1 0 0 0 | + | 12 25 1 1 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 21 27 1 6 0 0 0 | + | 21 27 1 6 0 0 0 |
| − | 2 29 1 6 0 0 0 | + | 2 29 1 6 0 0 0 |
| − | 24 28 1 6 0 0 0 | + | 24 28 1 6 0 0 0 |
| − | 24 30 1 1 0 0 0 | + | 24 30 1 1 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST03010050 | + | ID LBST03010050 |
| − | FORMULA C28H44O3 | + | FORMULA C28H44O3 |
| − | EXACTMASS 428.329045274 | + | EXACTMASS 428.329045274 |
| − | AVERAGEMASS 428.64716 | + | AVERAGEMASS 428.64716 |
| − | SMILES C[C@](C3)([C@H](C(CC3)=CC=C(C2)C(=C)CC[C@@H]2O)1)[C@H](CC1)[C@@H](C=C[C@](C(C)CO)(C)O)C | + | SMILES C[C@](C3)([C@H](C(CC3)=CC=C(C2)C(=C)CC[C@@H]2O)1)[C@H](CC1)[C@@H](C=C[C@](C(C)CO)(C)O)C |
M END | M END | ||
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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
10.3888 3.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3888 4.4969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.5227 4.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6567 4.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6567 3.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5227 2.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7907 2.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6567 1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5227 1.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7907 -0.0031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6567 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7907 -1.0031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.6567 -1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5227 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5227 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8396 0.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2519 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8396 -1.3121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2435 -3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5525 -2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5306 -2.2632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6180 -3.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 -3.8379 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2653 -3.6300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7907 -2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 -4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1998 -3.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0574 -2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2548 4.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4732 -4.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.9969 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 0 0 0 0
1 6 1 0 0 0 0
5 7 2 0 0 0 0
8 9 1 0 0 0 0
6 9 2 0 0 0 0
10 11 1 0 0 0 0
8 11 2 0 0 0 0
10 12 1 0 0 0 0
12 13 1 6 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
11 15 1 0 0 0 0
10 16 1 1 0 0 0
16 17 1 0 0 0 0
18 17 1 1 0 0 0
12 18 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
23 22 1 4 0 0 0
23 24 1 0 0 0 0
19 24 1 0 0 0 0
18 21 1 0 0 0 0
12 25 1 1 0 0 0
23 26 1 0 0 0 0
21 27 1 6 0 0 0
2 29 1 6 0 0 0
24 28 1 6 0 0 0
24 30 1 1 0 0 0
26 31 1 0 0 0 0
S SKP 5
ID LBST03010050
FORMULA C28H44O3
EXACTMASS 428.329045274
AVERAGEMASS 428.64716
SMILES C[C@](C3)([C@H](C(CC3)=CC=C(C2)C(=C)CC[C@@H]2O)1)[C@H](CC1)[C@@H](C=C[C@](C(C)CO)(C)O)C
M END
