Mol:LBF21207PG01
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | 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 -0.3430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.4801 -0.3430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 7.1711 -1.2941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1711 -1.2941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 7.9801 -1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9801 -1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.7891 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7891 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.4801 -0.3430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.4801 -0.3430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 6.2200 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2200 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.8923 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8923 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.0121 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0121 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0611 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0611 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8532 -3.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8532 -3.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9021 -4.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 -4.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6942 -5.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -5.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7431 -5.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 -5.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.2991 1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2991 1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7113 2.1886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.7113 2.1886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 6.1235 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1235 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.5302 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5302 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.9425 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9425 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3492 5.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3492 5.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.7614 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7614 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.5203 2.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5203 2.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.9801 -2.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9801 -2.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.0679 0.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0679 0.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.9023 1.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9023 1.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -4.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5352 -6.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 -6.4427 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 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
− | 3 22 2 0 0 0 0 | + | 3 22 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 |
− | 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 |
− | 15 24 1 1 0 0 0 | + | 15 24 1 1 0 0 0 |
− | 15 21 1 6 0 0 0 | + | 15 21 1 6 0 0 0 |
− | 5 23 1 6 0 0 0 | + | 5 23 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 LBF21207PG01 | + | ID LBF21207PG01 |
− | FORMULA C21H36O5 | + | FORMULA C21H36O5 |
− | EXACTMASS 368.256274262 | + | EXACTMASS 368.256274262 |
− | AVERAGEMASS 368.50754 | + | AVERAGEMASS 368.50754 |
− | SMILES C(=C[C@H]([C@H]1CCCCCCC(O)=O)[C@@H](CC1=O)O)[C@](C)(O)CCCCC | + | SMILES C(=C[C@H]([C@H]1CCCCCCC(O)=O)[C@@H](CC1=O)O)[C@](C)(O)CCCCC |
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 -0.3430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1711 -1.2941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9801 -1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 -1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4801 -0.3430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2200 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 -2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -3.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -4.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -5.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -5.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2991 1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7113 2.1886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1235 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5302 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9425 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3492 5.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7614 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5203 2.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9801 -2.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 0.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9023 1.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -6.4427 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 1 0 0 0 0 5 1 1 0 0 0 0 3 22 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 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 24 1 1 0 0 0 15 21 1 6 0 0 0 5 23 1 6 0 0 0 13 25 1 0 0 0 0 13 26 2 0 0 0 0 S SKP 5 ID LBF21207PG01 FORMULA C21H36O5 EXACTMASS 368.256274262 AVERAGEMASS 368.50754 SMILES C(=C[C@H]([C@H]1CCCCCCC(O)=O)[C@@H](CC1=O)O)[C@](C)(O)CCCCC M END