HMDB0040273 RDKit 3D Terpenyl isovalerate 43 43 0 0 0 0 0 0 0 0999 V2000 4.5481 1.8680 0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 1.0803 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3253 0.9112 1.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0829 0.1605 0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 -0.4566 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1148 -1.5462 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3733 -2.6769 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 -2.2066 -2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2177 -1.2323 -0.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1418 -0.7303 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -0.4764 1.0802 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5586 -0.4336 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9493 0.9740 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7964 1.3902 1.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2903 1.9665 -1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 -0.8467 -1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2649 0.4845 -1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 2.4717 1.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4129 1.1834 0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7524 2.5265 -0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 1.3810 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8593 -0.5724 1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2928 0.9939 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 0.3932 -1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 -3.6062 -0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -2.4477 1.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -2.8528 0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4433 -2.7182 -2.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3235 -2.8876 -2.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -1.3791 -2.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1819 -1.1070 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 -0.6947 -1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0599 1.0369 -0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3515 0.6548 1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3687 2.3594 1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 1.5620 1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9752 1.5083 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4473 2.4374 -0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9957 2.7788 -1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 -1.2607 -2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 -1.4426 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3146 0.2983 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 1.1536 -1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 5 16 1 0 16 17 1 0 17 2 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 8 30 1 0 12 31 1 0 12 32 1 0 13 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 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 M END