HMDB0031736 RDKit 3D 2-Hexyl-3-phenyl-2-propenal 36 36 0 0 0 0 0 0 0 0999 V2000 -4.5297 -1.1906 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6461 -0.1020 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5627 -0.8194 -0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6051 0.1123 -1.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8757 1.0055 -0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0653 0.1477 0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6285 1.0742 1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1701 1.9398 2.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 1.8760 2.2465 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9403 1.1421 1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 0.3056 0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7824 -1.0640 0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6041 -1.7796 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4816 -1.1361 -1.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 0.2419 -1.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6763 0.9442 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0724 -1.5945 1.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5432 -0.8004 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5561 -2.0212 -0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2591 0.5694 0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3102 0.4577 -0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1097 -1.4132 -1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0762 -1.5209 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9108 -0.4856 -2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1819 0.7782 -2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6077 1.5791 0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1603 1.6665 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -0.5677 -0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 -0.3903 1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 2.6003 2.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4166 1.8766 2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -1.6153 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 -2.8641 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 -1.7180 -1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2021 0.7306 -1.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7211 2.0353 -0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 7 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 8 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 M END