HMDB0248782 RDKit 3D 2-[4-Acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid 43 45 0 0 0 0 0 0 0 0999 V2000 -1.4065 3.8512 -2.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2793 3.5159 -1.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2793 4.5304 -1.1694 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 2.1650 -1.3288 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.7539 -0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 2.6277 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 2.1517 0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 0.8175 1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 -0.0685 0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 0.3758 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -0.7190 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0498 -0.7954 -1.5784 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5696 -0.6639 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2025 -1.8126 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 -1.7471 0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9926 -0.5360 0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4954 -0.5086 1.6406 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3903 0.6068 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1864 0.5371 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9648 -1.8246 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4501 -3.2203 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0097 -1.4190 0.7947 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8863 -2.2366 1.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 -2.7008 0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 -3.4351 1.2959 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1646 -2.3497 -0.5597 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9663 4.5650 -3.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 4.3962 -2.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 2.9473 -3.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5967 1.4552 -1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 3.6746 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6021 2.8815 1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7966 0.4294 1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -2.7568 -0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8243 -2.6894 0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8399 1.5739 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7276 1.4471 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 -3.9817 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 -3.3141 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4644 -3.3198 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 -1.6143 2.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3977 -3.1335 2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 -1.4563 -0.8303 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 11 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 10 5 1 0 19 13 1 0 22 9 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 14 34 1 0 15 35 1 0 18 36 1 0 19 37 1 0 21 38 1 0 21 39 1 0 21 40 1 0 23 41 1 0 23 42 1 0 26 43 1 0 M END