HMDB0029351 RDKit 3D Geranyl hexanoate 46 45 0 0 0 0 0 0 0 0999 V2000 -6.6943 1.0078 1.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8606 -0.3684 0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5663 -1.1288 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 -0.4270 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2435 -1.2242 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2152 -0.5513 -0.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 0.5439 -1.4987 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 -1.1183 -1.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0712 -0.5047 -1.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 0.8179 -1.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6111 1.1811 -0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 2.5948 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7534 0.2693 -0.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 0.0224 0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4596 -0.9133 0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.5904 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 0.7294 1.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7909 -1.5726 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7286 1.4319 1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2840 0.9680 2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1509 1.6983 0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3642 -0.2828 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5513 -0.9236 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7923 -2.1337 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1461 -1.2691 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2988 0.5787 0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9202 -0.4018 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5019 -2.2045 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8755 -1.4327 0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 -0.3520 -2.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8494 -1.2423 -1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4063 1.5735 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 2.6783 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7801 2.9487 -0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0789 3.2392 -1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 0.7155 -1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5385 -0.6956 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5879 0.9451 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5025 -0.4841 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 -1.8814 -0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2909 1.0033 2.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9902 0.6977 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9515 1.4784 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1226 -1.9544 1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4478 -2.3918 -0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6791 -1.0744 0.0280 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 M END