Mol:LBF24307PG01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 32 0 0 0 0 0 0 0 0999 V2000 | + | 32 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 7.4801 -0.2907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.4801 -0.2907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.1711 -1.2418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1711 -1.2418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.9801 -1.8296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.9801 -1.8296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.7891 -1.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7891 -1.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4801 -0.2907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.4801 -0.2907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.2200 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2200 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0121 -2.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0121 -2.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8923 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8923 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2991 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2991 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7113 2.2408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.7113 2.2408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.1180 3.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1180 3.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5302 3.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5302 3.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9370 4.8769 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 6.9370 4.8769 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 7.9315 4.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9315 4.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0611 -2.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0611 -2.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8532 -3.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8532 -3.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9021 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 -5.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -5.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 -5.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 -5.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3382 5.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3382 5.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3547 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3547 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7669 6.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7669 6.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.0624 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0624 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6502 1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6502 1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9801 -2.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9801 -2.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7168 2.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7168 2.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0679 0.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0679 0.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 -6.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 -6.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3492 5.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3492 5.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9479 4.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9479 4.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4692 -0.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4692 -0.4998 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 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 3 25 1 6 0 0 0 | + | 3 25 1 6 0 0 0 |
| − | 2 6 1 6 0 0 0 | + | 2 6 1 6 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 1 8 1 1 0 0 0 | + | 1 8 1 1 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 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 4 0 0 0 | + | 13 14 1 4 0 0 0 |
| − | 10 26 1 1 0 0 0 | + | 10 26 1 1 0 0 0 |
| − | 7 15 2 0 0 0 0 | + | 7 15 2 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 |
| − | 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 |
| − | 5 27 1 6 0 0 0 | + | 5 27 1 6 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 19 29 2 0 0 0 0 | + | 19 29 2 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 30 21 1 0 0 0 0 | + | 30 21 1 0 0 0 0 |
| − | 21 31 2 0 0 0 0 | + | 21 31 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 27 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | 23 32 2 0 0 0 0 | + | 23 32 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF24307PG01 | + | ID LBF24307PG01 |
| − | FORMULA C24H38O8 | + | FORMULA C24H38O8 |
| − | EXACTMASS 454.256668192 | + | EXACTMASS 454.256668192 |
| − | AVERAGEMASS 454.55372 | + | AVERAGEMASS 454.55372 |
| − | SMILES CC(=O)OC(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@H](OC(C)=O)C[C@@H]1O)O)CC | + | SMILES CC(=O)OC(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@H](OC(C)=O)C[C@@H]1O)O)CC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 32 0 0 0 0 0 0 0 0999 V2000
7.4801 -0.2907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1711 -1.2418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9801 -1.8296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7891 -1.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4801 -0.2907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2200 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 -2.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8923 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2991 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7113 2.2408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1180 3.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5302 3.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9370 4.8769 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.9315 4.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0611 -2.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 -3.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -5.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -5.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3382 5.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3547 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7669 6.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0624 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6502 1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9801 -2.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7168 2.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0679 0.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -6.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3492 5.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9479 4.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4692 -0.4998 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
5 4 1 0 0 0 0
1 5 1 0 0 0 0
3 25 1 6 0 0 0
2 6 1 6 0 0 0
6 7 1 0 0 0 0
1 8 1 1 0 0 0
8 9 2 0 0 0 0
9 10 1 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 4 0 0 0
10 26 1 1 0 0 0
7 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
5 27 1 6 0 0 0
14 20 1 0 0 0 0
19 28 1 0 0 0 0
19 29 2 0 0 0 0
13 30 1 0 0 0 0
30 21 1 0 0 0 0
21 31 2 0 0 0 0
21 22 1 0 0 0 0
27 23 1 0 0 0 0
23 32 2 0 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF24307PG01
FORMULA C24H38O8
EXACTMASS 454.256668192
AVERAGEMASS 454.55372
SMILES CC(=O)OC(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@H](OC(C)=O)C[C@@H]1O)O)CC
M END
