Mol:LBF20307PG10
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 25 0 0 0 0 0 0 0 0999 V2000 | + | 25 25 0 0 0 0 0 0 0 0999 V2000 |
− | 2.5878 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.5878 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.2788 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2788 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0878 -1.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.0878 -1.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 3.8968 -1.3463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8968 -1.3463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.5878 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5878 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 4.1756 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1756 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7688 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7688 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8479 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8479 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0558 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0558 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.0068 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0068 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.2147 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2147 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1658 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1658 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.3737 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3737 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.3248 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3248 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.5327 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5327 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3566 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3566 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9499 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9499 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5377 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5377 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1309 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1309 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7187 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7187 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0878 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0878 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7500 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7500 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.7132 5.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7132 5.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3120 6.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3120 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 |
− | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
− | 5 6 1 6 0 0 0 | + | 5 6 1 6 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 3 21 1 6 0 0 0 | + | 3 21 1 6 0 0 0 |
− | 4 8 1 1 0 0 0 | + | 4 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 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 |
− | 16 7 2 0 0 0 0 | + | 16 7 2 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 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 10 22 2 0 0 0 0 | + | 10 22 2 0 0 0 0 |
− | 1 23 1 6 0 0 0 | + | 1 23 1 6 0 0 0 |
− | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
− | 20 25 2 0 0 0 0 | + | 20 25 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF20307PG10 | + | ID LBF20307PG10 |
− | FORMULA C20H32O5 | + | FORMULA C20H32O5 |
− | EXACTMASS 352.224974134 | + | EXACTMASS 352.224974134 |
− | AVERAGEMASS 352.46508 | + | AVERAGEMASS 352.46508 |
− | SMILES C(CCC(=O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)CC | + | SMILES C(CCC(=O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](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/ 25 25 0 0 0 0 0 0 0 0999 V2000 2.5878 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2788 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -1.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8968 -1.3463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5878 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1756 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3248 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5377 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1309 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7187 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 5.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 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 1 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 3 21 1 6 0 0 0 4 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 0 0 0 0 14 15 1 0 0 0 0 16 7 2 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 19 20 1 0 0 0 0 10 22 2 0 0 0 0 1 23 1 6 0 0 0 20 24 1 0 0 0 0 20 25 2 0 0 0 0 S SKP 5 ID LBF20307PG10 FORMULA C20H32O5 EXACTMASS 352.224974134 AVERAGEMASS 352.46508 SMILES C(CCC(=O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)CC M END