Mol:LBPR02020025
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 16 17 0 0 0 0 0 0 0 0999 V2000 | + | 16 17 0 0 0 0 0 0 0 0999 V2000 |
− | -1.4702 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4702 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4701 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4701 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7557 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7557 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0412 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0412 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0412 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0412 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7557 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7557 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6733 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6733 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3877 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3877 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3877 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3877 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8002 1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8002 1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1846 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1846 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7557 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7557 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6733 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6733 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1846 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1846 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1846 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1846 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7557 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7557 1.6500 0.0000 C 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 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 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 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
− | 13 5 1 0 0 0 0 | + | 13 5 1 0 0 0 0 |
− | 9 10 1 4 0 0 0 | + | 9 10 1 4 0 0 0 |
− | 2 14 1 0 0 0 0 | + | 2 14 1 0 0 0 0 |
− | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
− | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
− | 9 15 1 0 0 0 0 | + | 9 15 1 0 0 0 0 |
− | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBPR02020025 | + | ID LBPR02020025 |
− | FORMULA C14H20O2 | + | FORMULA C14H20O2 |
− | EXACTMASS 220.14632988399998 | + | EXACTMASS 220.14632988399998 |
− | AVERAGEMASS 220.3074 | + | AVERAGEMASS 220.3074 |
− | SMILES Cc(c(O)1)c(C)c(O2)c(CCC(C)(C)2)c(C)1 | + | SMILES Cc(c(O)1)c(C)c(O2)c(CCC(C)(C)2)c(C)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4702 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4701 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0412 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0412 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6733 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1846 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6733 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1846 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 1.6500 0.0000 C 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 13 5 1 0 0 0 0 9 10 1 4 0 0 0 2 14 1 0 0 0 0 1 11 1 0 0 0 0 3 12 1 0 0 0 0 9 15 1 0 0 0 0 6 16 1 0 0 0 0 S SKP 5 ID LBPR02020025 FORMULA C14H20O2 EXACTMASS 220.14632988399998 AVERAGEMASS 220.3074 SMILES Cc(c(O)1)c(C)c(O2)c(CCC(C)(C)2)c(C)1 M END