HMDB0040281 RDKit 3D Geranyl valerate 43 42 0 0 0 0 0 0 0 0999 V2000 4.7029 2.4746 -0.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2028 1.2352 -0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 -0.0129 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0047 -1.2300 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5378 -1.0523 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7508 -1.3472 -1.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -0.5627 1.0496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5018 -0.3978 1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2273 -1.6588 0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1264 -1.9601 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 -3.3435 0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4758 -0.9852 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 -0.5418 -1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 0.0926 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8481 1.3257 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 2.0880 -1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3488 1.9535 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 2.1861 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 3.0670 -1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2225 3.0973 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6169 1.0963 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0928 1.3086 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6339 -0.0964 -1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0646 0.1026 -1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4463 -1.2371 0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2628 -2.1566 -0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1226 0.4697 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3615 -0.1336 2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 -2.4546 1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 -3.4862 -0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -4.1246 0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2754 -3.4994 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7651 -0.1495 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 -1.4967 -1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0224 0.1092 -1.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5575 -1.4344 -1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4143 -0.4387 1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1988 3.1288 -0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7794 2.0709 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 1.5918 -1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9371 1.4801 2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4517 1.8842 1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0456 3.0381 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 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 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 3 15 16 1 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 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 9 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 M END