Mol:LBF18203EO01
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 22 22 0 0 1 0 0 0 0 0999 V2000 | + | 22 22 0 0 1 0 0 0 0 0999 V2000 |
− | -5.2816 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2816 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6997 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6997 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6522 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6522 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0023 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0023 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9636 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9636 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6282 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6282 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6669 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6669 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5893 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5893 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0801 2.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0801 2.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4230 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4230 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8355 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8355 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4230 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4230 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8355 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8355 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4230 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4230 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8355 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8355 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4230 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4230 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8692 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8692 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.2816 0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2816 0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.2816 2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2816 2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8692 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8692 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2181 2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2181 2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4681 2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4681 2.1577 0.0000 C 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 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 22 1 0 0 0 0 | + | 4 22 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 7 9 1 4 0 0 0 | + | 7 9 1 4 0 0 0 |
− | 8 9 1 4 0 0 0 | + | 8 9 1 4 0 0 0 |
− | 8 10 1 0 0 0 0 | + | 8 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 15 1 4 0 0 0 | + | 16 15 1 4 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 3 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
− | 5 22 2 0 0 0 0 | + | 5 22 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF18203EO01 | + | ID LBF18203EO01 |
− | FORMULA C19H32O3 | + | FORMULA C19H32O3 |
− | EXACTMASS 308.23514489 | + | EXACTMASS 308.23514489 |
− | AVERAGEMASS 308.45558 | + | AVERAGEMASS 308.45558 |
− | SMILES C(C(CC=CCC=CCC)1)(CCCCCCCC(=O)OC)O1 | + | SMILES C(C(CC=CCC=CCC)1)(CCCCCCCC(=O)OC)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 22 22 0 0 1 0 0 0 0 0999 V2000 -5.2816 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6997 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6522 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0023 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9636 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5893 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 2.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 -2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8692 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2816 0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2816 2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8692 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2181 2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4681 2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 4 0 0 0 8 9 1 4 0 0 0 8 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 15 1 4 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 3 21 2 0 0 0 0 5 22 2 0 0 0 0 S SKP 5 ID LBF18203EO01 FORMULA C19H32O3 EXACTMASS 308.23514489 AVERAGEMASS 308.45558 SMILES C(C(CC=CCC=CCC)1)(CCCCCCCC(=O)OC)O1 M END