Mol:Sinomenine
From Metabolomics.JP
ACD/Labs12010717122D 25 28 0 0 1 0 0 0 0 0 1 V2000 27.1127 -5.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4427 -5.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1077 -6.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4426 -7.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4478 -6.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1127 -7.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4376 -6.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1024 -7.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1074 -8.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4373 -8.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1179 -6.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4530 -7.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4478 -8.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1179 -8.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4322 -7.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1020 -10.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4531 -10.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1127 -10.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7727 -5.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.4973 -6.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4813 -4.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0036 -4.1502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.1134 -3.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1231 -10.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0970 -8.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 4 3 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 5 2 0 0 0 0 6 5 1 0 0 0 0 12 11 1 0 0 0 0 13 6 2 0 0 0 0 14 13 1 0 0 0 0 15 8 1 0 0 0 0 10 8 1 0 0 0 0 16 10 2 0 0 0 0 14 12 2 0 0 0 0 17 14 1 0 0 0 0 13 18 1 0 0 0 0 3 19 1 6 0 0 0 4 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 2 22 1 6 0 0 0 1 2 1 0 0 0 0 22 23 1 0 0 0 0 17 24 1 0 0 0 0 15 25 1 0 0 0 0 S SKP 5 ID Sinomenine FORMULA C19H23NO4 EXACTMASS 329.162708229 AVERAGEMASS 329.39025999999996 SMILES COc(c4)c(O)c(c(c4)1)C(C2)(C3)C([H])(C=C(OC)C(=O)3)C(N(C)C2)C1 M END