HMDB0259093 RDKit 3D Tilisolol 46 47 0 0 0 0 0 0 0 0999 V2000 -4.0045 3.1914 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5026 1.8872 0.4138 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4924 1.3644 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9515 0.1155 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9606 -0.4848 -0.7794 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1383 -0.1929 -1.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8219 0.9838 -1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5649 1.0889 -2.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 0.8455 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3984 -0.2539 -0.1985 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 -0.5724 -0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6209 -0.8244 -2.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1089 -1.8695 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 0.4297 -0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -0.6085 0.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0517 -1.8746 1.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6128 -2.5632 2.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6428 -2.0681 3.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0841 -0.8057 2.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5423 -0.0555 1.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0544 1.2071 1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9876 1.6519 2.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1096 3.1938 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 3.5602 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8213 3.8894 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 1.9607 -1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4269 -1.0934 -2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7504 0.1213 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 1.8923 -1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2258 0.4693 -3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 0.8260 0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0736 1.8437 -0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3369 -0.7030 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0016 0.0310 -2.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 -1.5990 -2.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7384 -1.3328 -2.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4893 -2.7379 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0412 -1.7898 0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1368 -2.0676 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8051 0.5873 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6263 1.3089 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 -0.1251 -0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -2.2740 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 -3.5604 2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0775 -2.6389 3.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 -0.3541 3.2988 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 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 4 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 2 1 0 20 15 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 M END