HMDB0041493 RDKit 3D 4-Isopropylphenylacetaldehyde 26 26 0 0 0 0 0 0 0 0999 V2000 -2.7309 1.3251 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2909 -0.1551 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9894 -0.9738 0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -0.2486 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 0.1950 -1.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1118 0.1605 -1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9405 -0.3296 -0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3887 -0.3123 -0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0815 0.8199 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4216 0.6790 1.1608 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3489 -0.7568 0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0305 -0.7193 0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9731 1.7522 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5959 1.4372 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 1.9585 0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7092 -0.4568 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0855 -0.6693 0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9979 -2.0555 0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6778 -0.8116 2.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 0.5702 -2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5815 0.4860 -2.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 -0.1692 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8648 -1.2274 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2205 1.7073 -0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 -1.1471 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5327 -1.0586 1.7609 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 7 11 1 0 11 12 2 0 12 4 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 5 20 1 0 6 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 M END