Mol:Oxymatrine
From Metabolomics.JP
ACD/Labs12170711122D 23 26 0 0 1 0 0 0 0 0 2 V2000 28.1044 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1044 -9.4141 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 26.9525 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9525 -10.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8007 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8007 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4080 -8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4080 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2561 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2561 -10.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2561 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1042 -5.4241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9525 -6.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4080 -4.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4080 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2561 -3.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1044 -4.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9526 -3.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2561 -4.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9525 -8.7491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1043 -6.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2562 -8.7491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1043 -10.7441 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 9 11 1 0 0 0 0 1 9 1 0 0 0 0 13 12 1 0 0 0 0 3 1 1 0 0 0 0 3 13 1 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 11 15 1 0 0 0 0 17 16 1 0 0 0 0 12 11 1 0 0 0 0 12 17 1 0 0 0 0 17 18 2 0 0 0 0 11 19 1 1 0 0 0 3 20 1 6 0 0 0 1 21 1 6 0 0 0 9 22 1 6 0 0 0 2 23 1 0 0 0 0 M CHG 2 2 1 23 -1 S SKP 5 ID Oxymatrine FORMULA C15H24N2O2 EXACTMASS 264.183778022 AVERAGEMASS 264.36334000000005 SMILES O=C(C4)N(C1)C([H])(CC4)C([H])(C3)C([H])([N+1]([O-1])2CC3)C([H])(CCC2)1 M END
