HMDB0033826 RDKit 3D 2,6-Di-tert-butyl-4-methylphenol 40 40 0 0 0 0 0 0 0 0999 V2000 0.0675 3.6086 -0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0536 2.1703 -0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 1.5030 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1957 0.1628 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 -0.4852 0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 -1.6547 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 0.4695 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 -0.9956 1.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 -0.5285 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 -1.8591 0.4833 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 0.1352 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4851 -0.5653 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7186 -1.1074 1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 -1.6473 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5984 0.4286 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 1.4767 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 3.9265 -1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2608 4.2110 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 3.7992 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 2.0687 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -1.4046 -1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 -2.5722 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8356 -1.8688 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5488 1.2708 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6937 0.8426 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5757 -0.1019 0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5879 -1.1883 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -0.1827 2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -1.9248 1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7024 -2.4818 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9578 -2.1936 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 -0.9538 2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5827 -0.6220 1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3307 -1.3715 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6355 -1.8140 -1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9269 -2.6180 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5016 1.2311 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5882 -0.0255 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 0.8261 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 2.0361 -0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 0 4 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 11 16 2 0 16 2 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 6 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 10 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 M END