Mol:FL3FRNNR0004
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
− | -0.0559 -0.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0559 -0.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0512 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0512 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6539 -1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6539 -1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3730 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3730 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3777 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3777 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6656 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6656 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8067 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8067 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0945 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0945 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7580 0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7580 0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4801 0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4801 0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4848 -0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4848 -0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7750 -1.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7750 -1.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5157 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5157 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5129 1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5129 1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8005 1.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8005 1.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0915 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0915 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7750 -1.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7750 -1.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6539 -2.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6539 -2.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2273 1.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2273 1.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0852 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0852 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8020 -0.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8020 -0.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0852 -1.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0852 -1.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7346 -2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7346 -2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7346 -2.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7346 -2.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4509 -1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4509 -1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7580 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7580 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4703 1.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4703 1.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4703 2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4703 2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1993 0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1993 0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1842 2.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1842 2.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7553 2.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7553 2.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2250 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2250 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9174 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9174 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6246 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6246 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6246 -1.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6246 -1.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2273 -0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2273 -0.8415 0.0000 C 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 |
− | 1 3 1 0 0 0 0 | + | 1 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 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
− | 7 13 2 0 0 0 0 | + | 7 13 2 0 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 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 7 1 0 0 0 0 | + | 21 7 1 0 0 0 0 |
− | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
− | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | 9 26 1 0 0 0 0 | + | 9 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 29 10 1 0 0 0 0 | + | 29 10 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | 11 32 1 0 0 0 0 | + | 11 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FRNNR0004 | + | ID FL3FRNNR0004 |
− | KNApSAcK_ID C00013500 | + | KNApSAcK_ID C00013500 |
− | NAME Artelastin;3,8,10-Trihydroxy-9,11-bis(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one | + | NAME Artelastin;3,8,10-Trihydroxy-9,11-bis(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one |
− | CAS_RN 182052-05-7 | + | CAS_RN 182052-05-7 |
− | FORMULA C30H32O6 | + | FORMULA C30H32O6 |
− | EXACTMASS 488.219888756 | + | EXACTMASS 488.219888756 |
− | AVERAGEMASS 488.57148 | + | AVERAGEMASS 488.57148 |
− | SMILES C(=C41)(C(c(c3O4)c(c(CC=C(C)C)c(c(CC=C(C)C)3)O)O)=O)C(Oc(c2)c1ccc2O)C=C(C)C | + | SMILES C(=C41)(C(c(c3O4)c(c(CC=C(C)C)c(c(CC=C(C)C)3)O)O)=O)C(Oc(c2)c1ccc2O)C=C(C)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/ 36 39 0 0 0 0 0 0 0 0999 V2000 -0.0559 -0.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 -1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3777 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8067 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4801 0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -1.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5157 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5129 1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8005 1.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0915 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -1.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 -2.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2273 1.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -0.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 -1.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -2.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4509 -1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 1.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 2.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7553 2.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9174 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 -1.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2273 -0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 14 19 1 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 7 1 0 0 0 0 8 5 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 10 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 11 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 S SKP 8 ID FL3FRNNR0004 KNApSAcK_ID C00013500 NAME Artelastin;3,8,10-Trihydroxy-9,11-bis(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one CAS_RN 182052-05-7 FORMULA C30H32O6 EXACTMASS 488.219888756 AVERAGEMASS 488.57148 SMILES C(=C41)(C(c(c3O4)c(c(CC=C(C)C)c(c(CC=C(C)C)3)O)O)=O)C(Oc(c2)c1ccc2O)C=C(C)C M END