Mol:LBF22207PG02
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 26 26 0 0 0 0 0 0 0 0999 V2000 | + | 26 26 0 0 0 0 0 0 0 0999 V2000 |
− | 7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 7.9801 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9801 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.4801 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4801 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7113 2.1363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.7113 2.1363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0316 2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0316 2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.2045 3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2045 3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.5248 3.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5248 3.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.3437 5.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3437 5.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.9801 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9801 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5352 -6.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 -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 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
− | 3 23 2 0 0 0 0 | + | 3 23 2 0 0 0 0 |
− | 2 6 1 6 0 0 0 | + | 2 6 1 6 0 0 0 |
− | 1 7 1 1 0 0 0 | + | 1 7 1 1 0 0 0 |
− | 6 8 1 0 0 0 0 | + | 6 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 |
− | 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 |
− | 7 14 2 0 0 0 0 | + | 7 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 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 |
− | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 15 24 1 6 0 0 0 | + | 15 24 1 6 0 0 0 |
− | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
− | 13 26 2 0 0 0 0 | + | 13 26 2 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBF22207PG02 | + | ID LBF22207PG02 |
− | FORMULA C22H36O4 | + | FORMULA C22H36O4 |
− | EXACTMASS 364.26135963999997 | + | EXACTMASS 364.26135963999997 |
− | AVERAGEMASS 364.51884 | + | AVERAGEMASS 364.51884 |
− | SMILES C(C(C)(C)[C@H](C=C[C@@H](C=1)[C@@H](CCCCCCC(O)=O)C(C1)=O)O)CCC | + | SMILES C(C(C)(C)[C@H](C=C[C@@H](C=1)[C@@H](CCCCCCC(O)=O)C(C1)=O)O)CCC |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 26 26 0 0 0 0 0 0 0 0999 V2000 7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9801 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4801 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7113 2.1363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0316 2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2045 3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5248 3.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3437 5.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9801 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -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 2 0 0 0 0 5 1 1 0 0 0 0 3 23 2 0 0 0 0 2 6 1 6 0 0 0 1 7 1 1 0 0 0 6 8 1 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 12 13 1 0 0 0 0 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 15 24 1 6 0 0 0 13 25 1 0 0 0 0 13 26 2 0 0 0 0 S SKP 5 ID LBF22207PG02 FORMULA C22H36O4 EXACTMASS 364.26135963999997 AVERAGEMASS 364.51884 SMILES C(C(C)(C)[C@H](C=C[C@@H](C=1)[C@@H](CCCCCCC(O)=O)C(C1)=O)O)CCC M END