HMDB0059859 RDKit 3D (S)-3-Ethyl-4-methylpentanol 27 26 0 0 0 0 0 0 0 0999 V2000 -0.6149 2.0832 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0761 1.1408 -0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2351 -0.2355 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2686 -0.3067 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 0.3014 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5427 0.2433 1.2225 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -1.1193 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8052 -1.2855 -1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7077 -0.7850 1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2225 3.1183 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 1.9034 1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7178 2.1902 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 1.5586 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 1.0752 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7224 -0.7267 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4697 -1.3552 0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8535 0.2118 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 -0.2655 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4619 1.3608 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4279 -0.5439 1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4913 -2.1449 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3488 -2.2454 -1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1087 -1.4380 -2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4816 -0.4257 -1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5188 -0.0522 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0281 -0.5307 1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2313 -1.7268 1.4143 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 3 7 1 0 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 M END