HMDB0260126 RDKit 3D (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxo... 67 71 0 0 0 0 0 0 0 0999 V2000 -7.6664 0.7902 -1.1765 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8386 -0.4080 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0158 -0.6534 -0.0244 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6779 -1.2633 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8745 -2.2930 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0565 -1.7791 2.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2217 -0.1487 2.4166 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8423 -0.2284 1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2292 1.1294 1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7555 1.0364 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 2.3733 -1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 3.2374 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8148 2.2689 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3043 0.9582 -0.5121 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4927 -0.1421 -0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0688 -1.2423 -1.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1193 0.0624 -1.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9954 -0.5310 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5604 0.1636 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7653 -0.3117 1.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 -1.4312 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7195 -1.7097 0.7388 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0268 -1.9818 0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6679 -2.2228 1.9201 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -1.9182 -0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8943 -1.5202 -0.6904 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -0.3845 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9276 0.5956 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4585 1.7682 0.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8381 2.0326 0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4928 3.5558 0.9101 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.3461 1.1080 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8283 -0.0838 -0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6950 -1.1557 -1.8211 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7736 -2.1435 -0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5966 -1.6678 -1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -0.0440 -1.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3593 -0.4502 -2.1782 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4296 -0.5652 -0.0452 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2398 0.9961 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9653 1.5303 -0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5694 -1.8870 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -3.0394 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8201 -2.8556 0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4805 -2.4693 3.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0867 -1.7310 2.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0823 -0.9543 1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0436 1.9213 1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4571 1.3914 1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9683 2.7516 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1929 2.2483 -2.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1097 3.9945 0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4355 3.7194 -1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8113 2.5254 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 2.2950 0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 1.1820 -1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 -0.3165 -2.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 1.0708 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1896 0.2428 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4547 -1.8746 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 -3.0342 -0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8978 -1.4014 -1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8977 0.3200 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0463 2.5029 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4291 1.3157 -0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -3.0161 -0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1636 -2.2283 -1.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 2 0 33 34 1 0 21 35 1 0 35 36 2 0 10 37 1 0 37 38 2 0 37 39 1 0 39 4 1 0 39 8 1 0 14 10 1 0 36 18 1 0 33 27 1 0 1 40 1 0 1 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 17 56 1 0 17 57 1 0 19 58 1 0 20 59 1 0 22 60 1 0 25 61 1 0 25 62 1 0 28 63 1 0 29 64 1 0 32 65 1 0 35 66 1 0 36 67 1 0 M END