HMDB0038190 RDKit 3D Rishitinol 39 40 0 0 0 0 0 0 0 0999 V2000 -3.2392 2.4793 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8339 1.0522 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 0.0501 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3716 -1.2708 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0213 -1.5709 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6655 -3.0195 0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0664 -0.6052 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4868 0.6960 -0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5224 1.7720 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 1.4344 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 1.6261 1.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3169 0.0638 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -0.1835 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6196 0.8751 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 -1.5204 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4216 -0.1212 1.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 -1.0148 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 2.9604 0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6082 3.0005 -1.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3194 2.4944 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8053 0.3141 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -2.0649 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -3.1431 0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4161 -3.5212 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6137 -3.5103 -0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8414 2.6455 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5763 2.1430 -1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 2.1623 -0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 1.0191 1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6249 0.1068 -1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4205 1.8600 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6588 0.5367 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5579 0.9320 -1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1761 -1.7948 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7666 -2.2869 0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -1.4825 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2122 0.2307 2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6651 -1.5931 0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 -1.7511 -1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 12 17 1 0 8 2 1 0 17 7 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 4 22 1 0 6 23 1 0 6 24 1 0 6 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 14 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 M END