Mol:FL64A9GM0001
From Metabolomics.JP
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