HMDB0031568 RDKit 3D 4-Methyl-1-phenyl-2-pentanol 31 31 0 0 0 0 0 0 0 0999 V2000 3.3376 -0.1288 0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 0.7264 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 2.0879 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9823 0.1664 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 -1.2213 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6715 -2.0973 0.1046 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5732 -1.6685 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7073 -0.7379 -0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6065 -1.0036 0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 -0.1764 0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 0.9238 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0269 1.2205 -1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9579 0.3689 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 0.5438 0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4133 -0.6143 -0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -0.9037 1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 0.8771 1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 2.8328 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3279 2.0309 -0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 2.4821 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 0.1902 -1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1028 0.8358 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 -1.2321 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 -3.0338 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 -1.6944 -1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9065 -2.6883 -0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 -1.8698 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 -0.4403 1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7456 1.5551 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1766 2.0865 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2641 0.5822 -2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 5 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 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 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