HMDB0036171 RDKit 3D 3-(4-Isopropylphenyl)propanal 29 29 0 0 0 0 0 0 0 0999 V2000 -3.4807 -1.2617 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7554 -0.0163 0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1736 1.0877 -0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -0.1815 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 0.0336 1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 -0.0946 1.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5041 -0.4720 0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9557 -0.6310 0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7616 0.6123 0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 1.3497 -0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0323 1.0056 -1.6082 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8318 -0.6943 -0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -0.5516 -0.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 -2.1957 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7526 -1.2628 -1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4394 -1.3234 0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1152 0.2837 1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2611 0.9567 -0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 2.0428 -0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5576 1.1348 -1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1455 0.3314 2.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2535 0.0918 2.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2793 -1.3721 -0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 -1.0857 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8668 0.3913 0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 1.2681 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2515 2.2983 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3443 -1.0076 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0439 -0.7376 -1.7830 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 1 0 10 11 2 0 7 12 1 0 12 13 2 0 13 4 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 5 21 1 0 6 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 12 28 1 0 13 29 1 0 M END