HMDB0032025 RDKit 3D 4'-Isopropylacetophenone 26 26 0 0 0 0 0 0 0 0999 V2000 4.3143 0.2956 -0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1921 -0.6158 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4339 -1.6905 -1.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8178 -0.3071 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7908 -1.1706 -0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -0.9052 -0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 0.2532 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2736 0.4918 0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 0.5260 -0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7909 -0.6290 1.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1409 1.1244 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 0.8586 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 0.8823 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4638 0.9535 -1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2573 -0.3160 -0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0521 -2.0862 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -1.6235 -0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3936 1.4676 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2301 -0.4755 -1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1927 0.7551 -0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 1.3261 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9126 -0.9827 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -1.4392 0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5717 -0.3059 2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0909 2.0366 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2222 1.5764 0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 8 10 1 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 5 16 1 0 6 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 M END