Mol:LBF20406LT01
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 23 0 0 0 0 0 0 0 0999 V2000 | + | 23 23 0 0 0 0 0 0 0 0999 V2000 |
− | 6.3301 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0622 -2.8170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.0622 -2.8170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 8.5622 -3.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.5622 -3.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 8.5622 -4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5622 -4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.4282 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4282 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.4282 -6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4282 -6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.2942 -6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2942 -6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 7.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 7.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.0622 -2.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0622 -2.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.1603 -6.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1603 -6.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.2942 -7.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2942 -7.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 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 |
− | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 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 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 |
− | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 6 21 1 1 0 0 0 | + | 6 21 1 1 0 0 0 |
− | 5 21 1 1 0 0 0 | + | 5 21 1 1 0 0 0 |
− | 10 22 1 0 0 0 0 | + | 10 22 1 0 0 0 0 |
− | 10 23 2 0 0 0 0 | + | 10 23 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF20406LT01 | + | ID LBF20406LT01 |
− | FORMULA C20H30O3 | + | FORMULA C20H30O3 |
− | EXACTMASS 318.21949482599996 | + | EXACTMASS 318.21949482599996 |
− | AVERAGEMASS 318.4504 | + | AVERAGEMASS 318.4504 |
− | SMILES C(CC=CCC=CC=CC=C[C@@H](O1)[C@@H]1CCCC(O)=O)CCC | + | SMILES C(CC=CCC=CC=CC=C[C@@H](O1)[C@@H]1CCCC(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/ 23 23 0 0 0 0 0 0 0 0999 V2000 6.3301 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.8170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5622 -3.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5622 -4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -2.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 -6.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -7.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 1 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 6 7 1 0 0 0 0 6 21 1 1 0 0 0 5 21 1 1 0 0 0 10 22 1 0 0 0 0 10 23 2 0 0 0 0 S SKP 5 ID LBF20406LT01 FORMULA C20H30O3 EXACTMASS 318.21949482599996 AVERAGEMASS 318.4504 SMILES C(CC=CCC=CC=CC=C[C@@H](O1)[C@@H]1CCCC(O)=O)CCC M END