Mol:LBPR01070158
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 45 0 0 0 0 0 0 0 0999 V2000 | + | 44 45 0 0 0 0 0 0 0 0999 V2000 |
− | -6.5070 -0.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.5070 -0.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.7837 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7837 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0604 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0604 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3371 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3371 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6137 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6137 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8904 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8904 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1671 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1671 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4438 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4438 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7204 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7204 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0029 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0029 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7262 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7262 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4496 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4496 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1729 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1729 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8962 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8962 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6195 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6195 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3429 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3429 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0662 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0662 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.7895 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7895 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.5129 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5129 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0604 1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0604 1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1671 1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1671 1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4496 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4496 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3429 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3429 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -7.2246 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.2246 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -7.9421 -0.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.9421 -0.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -7.9421 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.9421 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -7.2246 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.2246 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.5070 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.5070 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.2304 0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2304 0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.9421 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9421 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.9421 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9421 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.2304 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2304 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.5129 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5129 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.7982 1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7982 1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.7924 -2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7924 -2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -7.9392 -0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.9392 -0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.9450 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9450 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.5099 -0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.5099 -0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.5158 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5158 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -8.6567 -2.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -8.6567 -2.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.6567 1.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6567 1.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.7837 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7837 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.4983 0.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.4983 0.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4770 2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4770 2.1625 0.0000 O 0 0 0 0 0 0 0 0 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 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 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 7 21 1 0 0 0 0 | + | 7 21 1 0 0 0 0 |
− | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
− | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
− | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 1 2 0 0 0 0 | + | 28 1 2 0 0 0 0 |
− | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 19 33 1 0 0 0 0 | + | 19 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 28 35 1 0 0 0 0 | + | 28 35 1 0 0 0 0 |
− | 24 36 1 1 0 0 0 | + | 24 36 1 1 0 0 0 |
− | 29 37 1 1 0 0 0 | + | 29 37 1 1 0 0 0 |
− | 24 38 1 6 0 0 0 | + | 24 38 1 6 0 0 0 |
− | 29 39 1 6 0 0 0 | + | 29 39 1 6 0 0 0 |
− | 19 18 1 1 0 0 0 | + | 19 18 1 1 0 0 0 |
− | 26 40 1 1 0 0 0 | + | 26 40 1 1 0 0 0 |
− | 31 41 1 6 0 0 0 | + | 31 41 1 6 0 0 0 |
− | 2 42 1 0 0 0 0 | + | 2 42 1 0 0 0 0 |
− | 1 42 1 0 0 0 0 | + | 1 42 1 0 0 0 0 |
− | 43 2 2 0 0 0 0 | + | 43 2 2 0 0 0 0 |
− | 20 44 1 0 0 0 0 | + | 20 44 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBPR01070158 | + | ID LBPR01070158 |
− | FORMULA C40H56O4 | + | FORMULA C40H56O4 |
− | EXACTMASS 600.41786028 | + | EXACTMASS 600.41786028 |
− | AVERAGEMASS 600.8702400000001 | + | AVERAGEMASS 600.8702400000001 |
− | SMILES CC(C)(C1)C(CC(=O)C(=CC=CC(C)=CC=CC=C(C=CC=C(C)C=CC(C2(C)C)C(=CC(C2)O)C)C)CO)=C(CC(O)1)C | + | SMILES CC(C)(C1)C(CC(=O)C(=CC=CC(C)=CC=CC=C(C=CC=C(C)C=CC(C2(C)C)C(=CC(C2)O)C)C)CO)=C(CC(O)1)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 44 45 0 0 0 0 0 0 0 0999 V2000 -6.5070 -0.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7837 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0604 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3371 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6137 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4438 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7204 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7262 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4496 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6195 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3429 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0662 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5129 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0604 1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4496 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3429 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2246 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9421 -0.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9421 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2246 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5070 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2304 0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9421 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9421 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2304 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5129 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7924 -2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9392 -0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9450 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5099 -0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5158 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6567 -2.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6567 1.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7837 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4983 0.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 2.1625 0.0000 O 0 0 0 0 0 0 0 0 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 3 20 1 0 0 0 0 7 21 1 0 0 0 0 12 22 1 0 0 0 0 16 23 1 0 0 0 0 24 1 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 1 2 0 0 0 0 29 19 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 19 33 1 0 0 0 0 33 34 1 0 0 0 0 28 35 1 0 0 0 0 24 36 1 1 0 0 0 29 37 1 1 0 0 0 24 38 1 6 0 0 0 29 39 1 6 0 0 0 19 18 1 1 0 0 0 26 40 1 1 0 0 0 31 41 1 6 0 0 0 2 42 1 0 0 0 0 1 42 1 0 0 0 0 43 2 2 0 0 0 0 20 44 1 0 0 0 0 S SKP 5 ID LBPR01070158 FORMULA C40H56O4 EXACTMASS 600.41786028 AVERAGEMASS 600.8702400000001 SMILES CC(C)(C1)C(CC(=O)C(=CC=CC(C)=CC=CC=C(C=CC=C(C)C=CC(C2(C)C)C(=CC(C2)O)C)C)CO)=C(CC(O)1)C M END