Mol:LBF21503HO03
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 24 0 0 1 0 0 0 0 0999 V2000 | + | 25 24 0 0 1 0 0 0 0 0999 V2000 |
− | -3.8349 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8349 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0099 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0099 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2734 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2734 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4308 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4308 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0842 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0842 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2592 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2592 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2864 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2864 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1053 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1053 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3788 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3788 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5924 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5924 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9235 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9235 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4797 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4797 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5924 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5924 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6845 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6845 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4814 0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4814 0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2407 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2407 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6845 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6845 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2710 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2710 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2710 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2710 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2346 -1.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2346 -1.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0020 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0020 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6270 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6270 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1420 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1420 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9205 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9205 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4055 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4055 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
− | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 23 6 1 0 0 0 0 | + | 23 6 1 0 0 0 0 |
− | 25 24 1 4 0 0 0 | + | 25 24 1 4 0 0 0 |
− | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 13 12 1 4 0 0 0 | + | 13 12 1 4 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 |
− | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
− | 18 7 1 4 0 0 0 | + | 18 7 1 4 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 |
− | 1 21 2 0 0 0 0 | + | 1 21 2 0 0 0 0 |
− | 3 22 2 0 0 0 0 | + | 3 22 2 0 0 0 0 |
− | 5 23 2 0 0 0 0 | + | 5 23 2 0 0 0 0 |
− | 7 24 2 0 0 0 0 | + | 7 24 2 0 0 0 0 |
− | 8 25 2 0 0 0 0 | + | 8 25 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF21503HO03 | + | ID LBF21503HO03 |
− | FORMULA C21H32O4 | + | FORMULA C21H32O4 |
− | EXACTMASS 348.23005951199997 | + | EXACTMASS 348.23005951199997 |
− | AVERAGEMASS 348.47637999999995 | + | AVERAGEMASS 348.47637999999995 |
− | SMILES C(CC=CCC=CCC(OO)C=CC=CCCCC(OC)=O)=CCC | + | SMILES C(CC=CCC=CCC(OO)C=CC=CCCCC(OC)=O)=CCC |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -3.8349 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0099 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2734 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4308 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0842 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2592 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1053 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3788 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5924 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9235 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4797 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5924 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6845 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4814 0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2407 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6845 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2346 -1.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4055 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 2 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 23 6 1 0 0 0 0 25 24 1 4 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 4 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 4 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 6 18 1 0 0 0 0 18 7 1 4 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 2 0 0 0 0 3 22 2 0 0 0 0 5 23 2 0 0 0 0 7 24 2 0 0 0 0 8 25 2 0 0 0 0 S SKP 5 ID LBF21503HO03 FORMULA C21H32O4 EXACTMASS 348.23005951199997 AVERAGEMASS 348.47637999999995 SMILES C(CC=CCC=CCC(OO)C=CC=CCCCC(OC)=O)=CCC M END