HMDB0036133 RDKit 3D 3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol 42 42 0 0 0 0 0 0 0 0999 V2000 -2.5947 2.9068 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1681 1.5046 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9588 0.7502 1.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7572 -0.6947 1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 -0.8910 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 -1.6051 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4177 -1.8378 -2.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 -2.9567 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0403 0.3235 -0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1022 0.5434 0.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2675 0.4357 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4474 0.6870 0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.5807 -0.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4038 -0.3618 1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4757 -0.2095 2.5518 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 1.5795 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8079 3.5202 -0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 3.3820 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5414 2.8071 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9516 1.0499 -0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0938 1.1781 2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9059 0.8076 2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -1.0757 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4615 -1.2245 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0322 -1.6039 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2021 -0.9519 -1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 -1.0356 -2.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6176 -2.0145 -1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7065 -2.7816 -2.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4223 -3.2433 0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 -3.6864 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -2.9160 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3271 0.1134 -1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -0.5935 -0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3005 1.1284 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 1.7089 0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9072 1.4412 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 -1.3466 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4524 -0.2385 2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0737 0.4821 2.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 1.9109 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2774 2.4273 0.0468 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 1 0 6 7 1 0 6 8 1 0 5 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 9 16 1 0 16 2 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 M END