HMDB0037226 RDKit 3D Citronellyl propionate 39 38 0 0 0 0 0 0 0 0999 V2000 6.4465 -0.3923 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 -0.6141 0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1735 0.5016 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7217 1.4617 -0.2983 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 0.5890 0.5149 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 1.7009 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6026 1.5541 0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 0.3094 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 0.2671 -1.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 0.1488 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9843 -1.0840 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3832 -1.4258 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3636 -0.8211 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7488 -1.4641 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2594 0.5020 1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 0.4186 1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9861 -1.3648 0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5755 -0.1110 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6715 -1.5695 0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9599 -0.6828 1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4199 2.6005 0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 1.8736 -1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 1.5215 1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 2.4764 -0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 -0.5548 0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7921 0.6936 -2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1939 -0.7983 -2.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 0.7584 -2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 -0.0408 1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9508 1.0777 0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 -1.0585 -1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3916 -2.0019 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6793 -2.4377 -0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7374 -2.4577 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3993 -0.7802 -0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1044 -1.4302 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2457 1.3260 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4883 0.5508 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2194 0.7579 1.5867 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 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END