HMDB0254912 RDKit 3D (Z)-2-((R)-1-((S)-1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-((2-(3-methoxyph... 60 62 0 0 0 0 0 0 0 0999 V2000 -6.9378 0.5993 1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9984 0.3631 0.8972 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7377 -0.1934 1.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5326 -0.4454 2.3801 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8357 -0.3975 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5474 0.9971 -0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 1.8889 0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 3.1729 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9588 3.5451 -1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 2.6576 -2.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6223 1.3459 -1.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1007 0.1718 -2.9784 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -0.9712 0.3595 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -2.2995 0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 -2.7186 1.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1742 -1.7493 0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -2.1926 1.2702 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7222 -0.9968 0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0645 -1.4771 1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1591 -2.5710 1.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2801 -0.7176 0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5239 -1.1328 1.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6271 -0.3619 1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4880 0.8512 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2307 1.2710 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 2.4840 -0.7368 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 2.9910 -1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 0.4947 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4577 -1.5877 -0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -1.9430 -1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1152 -1.7948 -2.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9674 -2.1702 -3.8213 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0478 -1.2426 -3.4985 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7905 -1.0042 -0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8999 0.0835 1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1352 1.6950 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5352 0.3012 2.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3909 -0.9381 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 1.5991 1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6065 3.8751 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7216 4.5695 -1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 2.9032 -3.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 -2.9948 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2096 -2.2887 1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1697 -2.8703 2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 -3.6980 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -0.7543 1.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7097 -0.7931 -0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 0.0168 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6193 -2.0856 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6101 -0.7112 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3739 1.4302 0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2826 2.2345 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 3.8635 -1.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 3.3392 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 0.8167 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3382 -2.4089 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -0.3544 -3.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 0.0070 -1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2646 -1.7033 -1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 5 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 2 0 16 29 1 0 29 30 2 3 30 31 1 0 31 32 2 0 31 33 1 0 29 34 1 0 11 6 1 0 34 13 1 0 28 21 1 0 1 35 1 0 1 36 1 0 1 37 1 0 5 38 1 0 7 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 18 48 1 0 18 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 27 53 1 0 27 54 1 0 27 55 1 0 28 56 1 0 30 57 1 0 33 58 1 0 34 59 1 0 34 60 1 0 M END