Mol:LBF20307PG22
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
− | 3.5433 1.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.5433 1.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.5092 1.4638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5092 1.4638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.5615 2.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5615 2.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.6279 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6279 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9986 2.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.9986 2.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 2.8362 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8362 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4751 1.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4751 1.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.1822 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1822 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.4410 -0.4680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.4410 -0.4680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 2.8362 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8362 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5773 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5773 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.4410 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4410 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5433 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5433 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5092 -2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5092 -2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4751 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4751 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 2.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4002 3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4002 3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.1822 -1.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1822 -1.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.9751 -3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9751 -3.0071 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 21 1 1 0 0 0 | + | 3 21 1 1 0 0 0 |
− | 1 6 1 1 0 0 0 | + | 1 6 1 1 0 0 0 |
− | 2 7 1 6 0 0 0 | + | 2 7 1 6 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
− | 5 20 1 1 0 0 0 | + | 5 20 1 1 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 6 1 0 0 0 0 | + | 11 6 1 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 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 |
− | 10 17 1 0 0 0 0 | + | 10 17 1 0 0 0 0 |
− | 9 22 1 6 0 0 0 | + | 9 22 1 6 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 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
− | 19 23 2 0 0 0 0 | + | 19 23 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF20307PG22 | + | ID LBF20307PG22 |
− | FORMULA C19H30O4 | + | FORMULA C19H30O4 |
− | EXACTMASS 322.21440944799997 | + | EXACTMASS 322.21440944799997 |
− | AVERAGEMASS 322.4391 | + | AVERAGEMASS 322.4391 |
− | SMILES [C@@H]([C@@H]21)(CC=CCCC(=O)O[C@@H](CCCCC)C=C2)[C@@H](O)C[C@H]1O | + | SMILES [C@@H]([C@@H]21)(CC=CCCC(=O)O[C@@H](CCCCC)C=C2)[C@@H](O)C[C@H]1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 0 0 0 0 0 0999 V2000 3.5433 1.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5092 1.4638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5615 2.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6279 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9986 2.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8362 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4751 1.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1822 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 -0.4680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8362 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 -0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9410 -1.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4410 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5433 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4751 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4002 3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1822 -1.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9751 -3.0071 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 21 1 1 0 0 0 1 6 1 1 0 0 0 2 7 1 6 0 0 0 7 8 2 0 0 0 0 9 8 1 0 0 0 0 5 20 1 1 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 9 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 10 17 1 0 0 0 0 9 22 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 S SKP 5 ID LBF20307PG22 FORMULA C19H30O4 EXACTMASS 322.21440944799997 AVERAGEMASS 322.4391 SMILES [C@@H]([C@@H]21)(CC=CCCC(=O)O[C@@H](CCCCC)C=C2)[C@@H](O)C[C@H]1O M END