HMDB0040595 RDKit 3D Allyl cyclohexylacetate 31 31 0 0 0 0 0 0 0 0999 V2000 4.3576 1.2156 0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9437 -0.0053 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8434 -1.0384 0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5307 -1.5334 0.0033 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4478 -0.6993 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 0.5222 -0.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 -1.1983 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9288 -0.5494 0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -1.1698 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0492 -0.2245 -0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4959 0.9503 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 1.5129 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0084 0.9218 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6285 1.4538 -0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4571 2.0161 1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -0.2288 2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4648 -1.9353 0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3007 -0.6914 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.3120 -0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2422 -0.9575 -1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7431 -0.7997 1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9103 -1.3133 1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1733 -2.1171 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9071 -0.7522 -1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4086 0.0984 -1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9525 1.7197 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 0.6470 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2762 2.6018 0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3754 1.2886 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 1.1471 -0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2023 1.4304 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 8 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 M END