Mol:LBF23307PG01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 27 0 0 0 0 0 0 0 0999 V2000 | + | 27 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.9801 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9801 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4801 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.4801 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.9801 -2.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9801 -2.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7113 2.1363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.7113 2.1363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5248 3.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5248 3.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3437 5.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3437 5.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0316 2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0316 2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2045 3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2045 3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0679 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0679 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 -6.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 -6.4950 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 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 3 6 2 0 0 0 0 | + | 3 6 2 0 0 0 0 |
| − | 2 7 1 6 0 0 0 | + | 2 7 1 6 0 0 0 |
| − | 1 8 1 1 0 0 0 | + | 1 8 1 1 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 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 |
| − | 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 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 5 24 1 6 0 0 0 | + | 5 24 1 6 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 11 25 1 6 0 0 0 | + | 11 25 1 6 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 21 27 2 0 0 0 0 | + | 21 27 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF23307PG01 | + | ID LBF23307PG01 |
| − | FORMULA C23H38O4 | + | FORMULA C23H38O4 |
| − | EXACTMASS 378.27700970399997 | + | EXACTMASS 378.27700970399997 |
| − | AVERAGEMASS 378.54542 | + | AVERAGEMASS 378.54542 |
| − | SMILES C(C(C)(C)[C@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=C)1)O)O)CCC | + | SMILES C(C(C)(C)[C@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=C)1)O)O)CCC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 27 0 0 0 0 0 0 0 0999 V2000
7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9801 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4801 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9801 -2.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7113 2.1363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5248 3.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3437 5.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0316 2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2045 3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0679 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -6.4950 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 1 1 0 0 0 0
3 6 2 0 0 0 0
2 7 1 6 0 0 0
1 8 1 1 0 0 0
7 9 1 0 0 0 0
8 10 2 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
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
5 24 1 6 0 0 0
9 17 2 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
20 21 1 0 0 0 0
11 25 1 6 0 0 0
12 22 1 0 0 0 0
12 23 1 0 0 0 0
21 26 1 0 0 0 0
21 27 2 0 0 0 0
S SKP 5
ID LBF23307PG01
FORMULA C23H38O4
EXACTMASS 378.27700970399997
AVERAGEMASS 378.54542
SMILES C(C(C)(C)[C@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC(=C)1)O)O)CCC
M END
