HMDB0244739 RDKit 3D (6-Iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-yl)(4-methoxyphenyl)methanone 54 57 0 0 0 0 0 0 0 0999 V2000 8.3023 1.7922 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2945 1.6320 -0.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1184 0.9835 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 0.7873 -1.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9005 0.1493 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 -0.3178 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5399 -1.0057 0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7065 -1.7362 1.8744 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2179 -0.9669 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 0.0588 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 1.4722 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -0.3889 -0.5055 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 0.2837 -0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0274 0.2501 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3016 0.7419 0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4869 2.1106 -0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9421 2.4025 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8533 1.8520 0.2695 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 0.4733 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 0.1367 0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 -1.7432 -0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6008 -2.6506 -1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2594 -3.9934 -1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6309 -5.4212 -2.0502 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 -4.3540 -0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8899 -3.4293 -0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 -2.1132 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 -0.1141 1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9301 0.5115 0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1669 2.3856 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 0.8156 0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8384 2.4163 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2338 1.1658 -2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1005 0.0274 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5661 1.5703 1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 1.6690 0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0346 2.2184 -0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 1.3260 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 -0.2143 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1036 -0.8166 0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5548 0.8819 1.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3682 2.6774 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8071 2.5872 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1401 3.4891 -0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0782 1.9951 -1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4933 0.1052 1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8756 -0.0486 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2653 -0.9326 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3038 0.6207 1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 -2.3806 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 -5.3958 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 -3.7263 0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6794 -0.4763 2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7056 0.6369 1.6632 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 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 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 1 0 12 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 26 27 2 0 6 28 1 0 28 29 2 0 29 3 1 0 27 9 1 0 20 15 1 0 27 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 5 34 1 0 11 35 1 0 11 36 1 0 11 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 19 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 22 50 1 0 25 51 1 0 26 52 1 0 28 53 1 0 29 54 1 0 M END