HMDB0035841 RDKit 3D Citronellal 29 28 0 0 0 0 0 0 0 0999 V2000 -3.3577 -0.2245 -1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4106 0.2614 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9332 0.7075 1.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0941 0.2951 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0918 0.7585 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9402 -0.1932 1.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8558 -0.7941 0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2271 -1.6279 -0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7086 0.2631 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4998 0.9542 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 1.8708 1.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3756 -0.3761 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0068 -1.1779 -1.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4644 0.5101 -1.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0558 0.8041 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6617 -0.0247 2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5679 1.7384 1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8111 -0.0309 -1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 1.7135 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6522 1.0873 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4235 -1.0557 1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5771 0.2635 1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5353 -1.4889 0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9452 -2.4960 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2503 -2.0462 -0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -1.0383 -1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3808 -0.2356 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 0.9388 -1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5031 0.6437 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 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 2 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 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 M END