Mol:LBF20406HX01
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 24 24 0 0 0 0 0 0 0 0999 V2000 | + | 24 24 0 0 0 0 0 0 0 0999 V2000 |
− | 7.1962 -0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.6962 -1.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.6962 -1.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 1.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.6962 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6962 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.5622 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5622 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.5622 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5622 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.4282 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4282 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.4282 -5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4282 -5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.2942 -5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2942 -5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.2942 -6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2942 -6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.1603 -7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1603 -7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.1962 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1962 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.9981 2.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9981 2.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 7.4330 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 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 1 4 1 0 0 0 0 | + | 1 4 1 0 0 0 0 |
− | 5 3 1 0 0 0 0 | + | 5 3 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
− | 2 21 1 1 0 0 0 | + | 2 21 1 1 0 0 0 |
− | 1 21 1 1 0 0 0 | + | 1 21 1 1 0 0 0 |
− | 5 22 1 6 0 0 0 | + | 5 22 1 6 0 0 0 |
− | 2 13 1 0 0 0 0 | + | 2 13 1 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 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 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
− | 12 24 2 0 0 0 0 | + | 12 24 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF20406HX01 | + | ID LBF20406HX01 |
− | FORMULA C20H32O4 | + | FORMULA C20H32O4 |
− | EXACTMASS 336.23005951199997 | + | EXACTMASS 336.23005951199997 |
− | AVERAGEMASS 336.46567999999996 | + | AVERAGEMASS 336.46567999999996 |
− | SMILES C(=C[C@@H](O)CC=CCCCC(O)=O)[C@@H](O1)[C@@H]1CC=CCCCCC | + | SMILES C(=C[C@@H](O)CC=CCCCC(O)=O)[C@@H](O1)[C@@H]1CC=CCCCCC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 24 0 0 0 0 0 0 0 0999 V2000 7.1962 -0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6962 -1.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 -7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9981 2.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 1 4 1 0 0 0 0 5 3 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 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 2 21 1 1 0 0 0 1 21 1 1 0 0 0 5 22 1 6 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 14 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 19 20 1 0 0 0 0 12 23 1 0 0 0 0 12 24 2 0 0 0 0 S SKP 5 ID LBF20406HX01 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(=C[C@@H](O)CC=CCCCC(O)=O)[C@@H](O1)[C@@H]1CC=CCCCCC M END