HMDB0037171 RDKit 3D alpha-Citronellol 31 30 0 0 0 0 0 0 0 0999 V2000 3.7784 1.2057 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5794 0.5899 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 -0.7560 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 1.3559 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7474 0.7477 -1.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 -0.5458 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9529 -0.4924 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4807 -1.8852 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 0.4799 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1064 0.5134 0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7238 -0.6860 0.8822 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 2.1890 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 0.6828 0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5422 -1.0384 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 -1.5651 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2438 -0.8232 1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6865 1.5509 0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7621 2.4158 -0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 1.5053 -1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5398 0.6438 -2.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3947 -0.8807 -2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8094 -1.3743 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5563 -0.1245 0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 -2.5730 0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -2.2231 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8539 -2.0480 1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5757 1.4940 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5033 0.2239 -1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8908 1.2441 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 0.9023 1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6516 -0.7288 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 3 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 M END