HMDB0038050 RDKit 3D alpha-Terpinyl cinnamate 45 46 0 0 0 0 0 0 0 0999 V2000 -5.1138 1.7181 1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3265 0.8143 0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3008 0.8893 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4532 -0.0991 -1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0501 -0.0599 -0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1894 -1.1609 -1.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8146 -2.5348 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -1.0547 -2.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -1.2313 -0.6567 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0072 -0.2027 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6561 0.8478 -1.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 -0.3232 -0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1415 0.7159 -0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4807 0.7503 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 1.9155 0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5127 2.0231 0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0536 0.9648 1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3261 -0.1894 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0436 -0.2898 1.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0744 -0.0756 0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 -0.2871 1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1674 1.3204 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 1.7692 2.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1759 2.6981 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8875 1.6499 -0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9256 -1.0801 -1.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 0.2472 -2.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6276 0.9052 -0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 -3.2765 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 -2.7060 0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7247 -2.7022 -1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9402 -0.0315 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1513 -1.3287 -3.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4393 -1.8139 -3.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -1.2037 0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7912 1.6138 -0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 2.7602 -0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0395 2.9586 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0574 1.0820 1.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7425 -1.0332 2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 -1.1993 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -0.8253 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7361 0.9163 1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9168 -1.2328 1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 -0.2078 2.4960 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 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 5 20 1 0 20 21 1 0 21 2 1 0 19 14 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 7 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 8 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 M END