HMDB0034443 RDKit 3D Questinol 34 36 0 0 0 0 0 0 0 0999 V2000 -4.2862 -2.2172 1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0191 -1.7187 0.7972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7412 -0.4721 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 0.4196 0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4892 1.6945 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 2.6063 -0.6824 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 2.0320 -0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1413 1.1718 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4476 -0.0947 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3239 -0.9908 0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5176 -2.1518 0.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0602 -0.5990 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0762 -1.5099 0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 -2.7892 0.7827 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3754 -1.1319 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 0.1203 -0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 0.4950 -0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6632 1.0750 0.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6642 1.0261 -0.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 0.6587 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2366 1.5643 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 2.7083 -1.1544 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7351 -2.8301 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0233 -1.4574 1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -2.9024 1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8011 0.2024 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7861 3.2264 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9155 3.0255 -1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 -3.4156 0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -1.8640 0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6709 -0.4554 -0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 1.1536 -1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9761 1.4048 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8556 2.0155 -1.0976 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 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 9 3 1 0 20 12 1 0 21 8 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 14 29 1 0 15 30 1 0 17 31 1 0 17 32 1 0 18 33 1 0 19 34 1 0 M END