HMDB0035268 RDKit 3D 4-Isopropylbenzoic acid 24 24 0 0 0 0 0 0 0 0999 V2000 -2.4786 1.2588 0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 -0.1647 0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 -0.9099 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5307 -0.1690 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 0.4360 -0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4206 0.4421 -0.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2183 -0.1759 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 -0.2112 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.7846 0.7342 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2313 0.4070 -1.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -0.7886 1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 -0.7907 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7232 1.9878 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6316 1.5324 1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4111 1.3776 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 -0.6843 1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2759 -0.4830 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6916 -1.0118 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -1.9417 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 0.9408 -1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8678 0.9284 -1.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6196 1.3272 -1.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 -1.2681 1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -1.2548 2.1070 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 2 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 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 5 20 1 0 6 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 M END