HMDB0031731 RDKit 3D 3-Methyl-1-phenyl-3-pentanol 31 31 0 0 0 0 0 0 0 0999 V2000 -2.7010 -1.5060 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6135 -0.4807 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9941 0.8187 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9606 1.7558 -1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 1.4348 0.9947 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 0.6306 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2981 0.0610 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 -0.1619 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0054 -1.3978 0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -1.7223 0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2826 -0.8000 0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9897 0.4348 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 0.7389 -0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4724 -1.2257 1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7207 -1.7291 1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -2.4425 0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1131 -0.9178 -1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6694 -0.2823 -0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1422 2.5155 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7618 1.2185 -2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8951 2.3190 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 2.3001 1.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 1.6275 0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6316 -0.0310 1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3041 0.8122 -1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1264 -0.9028 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2314 -2.1566 0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5054 -2.6954 1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2843 -1.0754 1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8094 1.1608 0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4912 1.6992 -0.6677 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 3 5 1 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 4 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 M END