HMDB0037763 RDKit 3D xi-3-(4-Isopropylphenyl)-2-methylpropanal 32 32 0 0 0 0 0 0 0 0999 V2000 -3.2669 -0.0911 -1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2246 0.5332 0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5889 0.4821 0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4088 1.2846 0.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2894 -0.2082 1.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 -0.2206 0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4636 -1.2381 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -1.2099 -0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -0.2140 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 -0.2840 -0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1584 -0.3857 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 0.9636 -1.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2937 0.7920 0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 0.7851 1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8597 0.5722 -1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2628 -0.2284 -1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8362 -1.0495 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 1.6166 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8469 -0.2609 1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 0.2498 2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6299 -1.2466 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 -2.0583 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -2.0424 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2053 -1.1889 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 0.5601 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9149 -1.2434 1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1182 -0.6284 -0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 1.2062 -1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7828 1.8344 -1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9937 0.7839 -2.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9888 1.5869 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3058 1.6055 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 9 13 1 0 13 14 2 0 14 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 5 20 1 0 5 21 1 0 7 22 1 0 8 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 M END