HMDB0061935 RDKit 3D 3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester 43 43 0 0 0 0 0 0 0 0999 V2000 -1.4767 4.9101 1.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3189 3.6129 1.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 2.9921 1.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9339 3.5950 1.6329 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 1.6428 0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1811 0.9971 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 -0.2735 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 -0.8716 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -2.1541 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6391 0.1024 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9249 -1.0655 -1.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -0.9449 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2385 -2.1997 -0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 -0.2986 -0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2987 -1.0218 -0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5516 -0.2035 -0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 -2.2856 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2626 -1.3655 -2.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 0.9764 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4902 5.2757 2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1727 4.8381 2.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9107 5.5924 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 1.5793 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5676 -2.0700 1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1961 -2.9178 -0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8918 -2.5237 1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7062 1.0246 -0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6629 -0.3665 0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4947 0.3005 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6884 -0.3562 -1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 -0.8794 -2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 -2.1343 -1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 -2.7570 -1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7664 -0.0759 0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5073 0.7903 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3868 -0.7548 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1438 -2.1259 0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4702 -2.5919 0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -3.1021 -0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6724 -2.3896 -2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 -0.6692 -2.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2623 -1.2935 -2.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 1.4623 0.4236 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 7 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 14 19 2 0 19 5 1 0 1 20 1 0 1 21 1 0 1 22 1 0 6 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 13 33 1 0 16 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 M END