HMDB0037225 RDKit 3D Methyl citronellate 33 32 0 0 0 0 0 0 0 0999 V2000 -3.9288 1.9403 -1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 0.9053 -1.2102 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8374 -0.1799 -0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5998 -0.2850 0.6306 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8556 -1.2806 -0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -1.4109 0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -2.5056 0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 -0.0843 1.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 0.6699 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 0.0188 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 0.4881 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9546 1.7793 0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0223 -0.2427 -0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4689 2.8648 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8325 1.6422 -0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 2.2261 -2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 -1.1246 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 -2.2572 -0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7444 -1.7278 1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4349 -3.4399 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9336 -2.2960 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0706 -2.7863 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0485 -0.1910 2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 0.5368 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6551 1.6361 0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 0.9991 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -0.9147 -0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 2.0097 0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 2.5879 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4663 1.7379 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8974 0.4198 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2442 -1.1125 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8169 -0.6235 -1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 M END