HMDB0240642 RDKit 3D 3,5-Di-tert-butyl-4-hydroxybenzoic acid 40 40 0 0 0 0 0 0 0 0999 V2000 -3.5662 0.5116 0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4973 -0.4380 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6116 -0.6622 -1.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7543 -1.7652 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 0.1180 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0918 1.3552 0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 1.9706 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 3.2785 1.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2479 3.8297 1.8985 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0476 3.9304 1.9528 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 1.2845 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2084 0.0435 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 -0.6385 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6523 -1.9572 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 -0.7807 -1.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 0.2396 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.5365 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1053 -1.7729 -0.8276 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5727 0.0531 0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4622 1.4607 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5109 0.7124 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9879 0.1104 -2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2633 -1.6857 -1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6732 -0.5030 -1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0769 -2.5704 0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 -1.7038 1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7816 -2.0855 0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9768 1.9393 0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1107 4.9161 1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1977 1.7821 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 -2.2821 0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4812 -1.9406 1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 -2.7585 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3388 -0.0632 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6289 -0.5256 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9409 -1.7929 -2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 -0.2703 -0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6797 1.2095 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6188 0.3645 1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6173 -2.3765 -1.1251 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 2 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 12 17 2 0 17 18 1 0 17 5 1 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 4 27 1 0 6 28 1 0 10 29 1 0 11 30 1 0 14 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 16 39 1 0 18 40 1 0 M END