Mol:FL64A9GM0001
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 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
− | 2.3448 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3448 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6343 1.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6343 1.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9237 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9237 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9237 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9237 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6343 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6343 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3448 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3448 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2131 1.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2131 1.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4975 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4975 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4975 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4975 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2131 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2131 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1482 1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1482 1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8359 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8359 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5236 1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5236 1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5236 2.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5236 2.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8359 2.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8359 2.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1482 2.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1482 2.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6343 -1.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6343 -1.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2131 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2131 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1342 1.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1342 1.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7753 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7753 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3628 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3628 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5648 0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5648 0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7715 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7715 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1840 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1840 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9821 1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9821 1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1587 1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1587 1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6473 2.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6473 2.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5236 1.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5236 1.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9182 1.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9182 1.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8875 0.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8875 0.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2545 -0.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2545 -0.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2545 -0.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2545 -0.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2131 -1.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2131 -1.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4121 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4121 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9996 -2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9996 -2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2015 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2015 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4083 -2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4083 -2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8207 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8207 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6189 -1.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6189 -1.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7954 -1.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7954 -1.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2841 -0.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2841 -0.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1604 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1604 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5550 -1.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5550 -1.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5243 -2.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5243 -2.5264 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 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 3 7 2 0 0 0 0 | + | 3 7 2 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 4 2 0 0 0 0 | + | 10 4 2 0 0 0 0 |
− | 1 11 1 6 0 0 0 | + | 1 11 1 6 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 5 17 1 1 0 0 0 | + | 5 17 1 1 0 0 0 |
− | 7 18 1 0 0 0 0 | + | 7 18 1 0 0 0 0 |
− | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 19 23 1 0 0 0 0 | + | 19 23 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 |
− | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
− | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
− | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
− | 9 31 1 0 0 0 0 | + | 9 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 10 33 1 0 0 0 0 | + | 10 33 1 0 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
− | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
− | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
− | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL64A9GM0001 | + | ID FL64A9GM0001 |
− | KNApSAcK_ID C00013266 | + | KNApSAcK_ID C00013266 |
− | NAME Pneumatopterin A;4'-Demethoxytriphyllin A;bis-(2S,4R)-3,4-dihydro-4-hydroxy-6-(hydroxymethyl)-8-methyl-2-phenyl-2H-1-benzopyran-5,7-diyl beta-D-Glucopyranoside | + | NAME Pneumatopterin A;4'-Demethoxytriphyllin A;bis-(2S,4R)-3,4-dihydro-4-hydroxy-6-(hydroxymethyl)-8-methyl-2-phenyl-2H-1-benzopyran-5,7-diyl beta-D-Glucopyranoside |
− | CAS_RN 192643-12-2 | + | CAS_RN 192643-12-2 |
− | FORMULA C29H38O15 | + | FORMULA C29H38O15 |
− | EXACTMASS 626.221070546 | + | EXACTMASS 626.221070546 |
− | AVERAGEMASS 626.60302 | + | AVERAGEMASS 626.60302 |
− | SMILES O(C(C(O)5)OC(CO)C(C(O)5)O)c(c(CO)1)c(c(O3)c(C(CC3c(c4)cccc4)O)c1OC(C2O)OC(CO)C(O)C2O)C | + | SMILES O(C(C(O)5)OC(CO)C(C(O)5)O)c(c(CO)1)c(c(O3)c(C(CC3c(c4)cccc4)O)c1OC(C2O)OC(CO)C(O)C2O)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 48 0 0 0 0 0 0 0 0999 V2000 2.3448 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6343 1.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9237 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9237 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6343 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3448 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 1.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8359 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5236 1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5236 2.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8359 2.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 2.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6343 -1.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 1.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3628 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5648 0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7715 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9821 1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6473 2.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5236 1.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9182 1.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 -0.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 -0.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 -1.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4121 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9996 -2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2015 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8207 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6189 -1.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 -1.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2841 -0.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1604 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -1.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5243 -2.5264 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 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 4 2 0 0 0 0 1 11 1 6 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 11 1 0 0 0 0 5 17 1 1 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 19 23 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 9 31 1 0 0 0 0 31 32 1 0 0 0 0 10 33 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 33 37 1 0 0 0 0 S SKP 8 ID FL64A9GM0001 KNApSAcK_ID C00013266 NAME Pneumatopterin A;4'-Demethoxytriphyllin A;bis-(2S,4R)-3,4-dihydro-4-hydroxy-6-(hydroxymethyl)-8-methyl-2-phenyl-2H-1-benzopyran-5,7-diyl beta-D-Glucopyranoside CAS_RN 192643-12-2 FORMULA C29H38O15 EXACTMASS 626.221070546 AVERAGEMASS 626.60302 SMILES O(C(C(O)5)OC(CO)C(C(O)5)O)c(c(CO)1)c(c(O3)c(C(CC3c(c4)cccc4)O)c1OC(C2O)OC(CO)C(O)C2O)C M END