HMDB0033562 RDKit 3D 3-Methyl-2-phenylbutanal 26 26 0 0 0 0 0 0 0 0999 V2000 -2.8048 -1.0526 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 -0.3188 -0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8867 1.1481 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4911 -0.6820 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8889 -0.2500 1.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 0.3965 2.4796 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8775 -0.2147 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8823 -1.1280 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1741 -0.7464 -0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 0.5851 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 1.5064 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 1.1116 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6262 -2.1082 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5675 -0.9208 -0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -0.4846 0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 -0.6689 -1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 1.2269 -0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8588 1.4536 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2685 1.7833 -1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4348 -1.8137 0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.4854 2.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -2.1781 -0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 -1.4479 -0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 0.8993 -0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 2.5571 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 1.8320 0.4055 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 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 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 4 20 1 0 5 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 M END