HMDB0030425 RDKit 3D Linalyl propionate 37 36 0 0 0 0 0 0 0 0999 V2000 0.7188 0.3195 -3.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 -0.1129 -2.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 0.5826 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5553 2.0665 -1.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 0.6896 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0413 -0.6126 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 -0.5264 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2826 0.4204 0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0142 1.8560 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7433 0.0138 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0183 0.2460 0.1983 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3893 -0.9572 0.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8507 -1.9763 0.2882 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4266 -0.9607 1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 -2.3607 2.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0945 1.2164 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 -0.1603 -4.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9067 -1.0064 -2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 2.4984 -1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5323 1.9132 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 2.5781 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8132 1.1871 -1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 1.3930 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -1.2076 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8996 -1.2588 -1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 -1.5861 0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0117 2.3927 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5741 2.2511 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4427 2.1131 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4168 0.8404 0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9573 -0.8071 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8045 -0.3178 1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3749 -0.5643 1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 -0.3664 2.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9492 -2.7293 2.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6729 -2.3066 2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9069 -3.0670 1.4424 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 8 10 1 0 3 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 4 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 M END