HMDB0035127 RDKit 3D (-)-Myrtenyl isovalerate 41 42 0 0 0 0 0 0 0 0999 V2000 4.8079 -0.7200 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0925 -0.1071 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 0.4870 1.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2707 1.0650 0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3048 0.5448 -0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 0.3144 -1.7907 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9663 0.2967 -0.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -0.1961 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 -0.4348 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8005 -1.6262 -1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2836 -1.7812 -0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8362 -0.4331 -0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3218 0.6373 -1.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0694 0.6813 -0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 0.2499 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 -0.6204 1.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7046 1.4404 1.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 0.1360 -0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0857 -1.3553 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 -1.3153 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4674 -0.8634 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4767 -0.2633 2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5938 1.3123 2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9006 0.9178 1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7134 1.5528 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9067 1.8243 -0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 -1.1185 -1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 0.5594 -2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2662 -2.5149 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -2.5152 -0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7691 -2.1037 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9168 -0.3729 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0868 0.2732 -2.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8986 1.5671 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6139 1.6616 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 -1.4037 1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9844 0.0519 2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3251 -1.0737 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6605 1.1575 1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 2.2440 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0657 1.8443 1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 14 9 1 0 15 12 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 M END