HMDB0040179 RDKit 3D 2,6-Di-tert-butyl-4-ethylphenol 43 43 0 0 0 0 0 0 0 0999 V2000 0.9485 3.9816 -0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 3.2692 0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 1.8448 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8977 1.4502 0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 0.1081 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 -0.2841 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8984 -0.9060 -1.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0421 -1.2583 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 0.9294 0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1828 -0.7958 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -2.1200 -0.2041 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 -0.4336 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2338 -1.3900 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2916 -2.1302 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2076 -2.4303 1.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5564 -0.6662 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 0.8987 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 3.3981 -1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0358 4.0381 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5871 5.0202 -0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1039 3.7184 1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 3.2972 1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6756 2.2116 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4155 -1.8849 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9563 -0.9602 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5659 -0.2441 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1405 -1.5013 1.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5142 -2.1840 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7904 -0.8266 1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3145 1.6636 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5806 0.5989 -0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4545 1.3836 1.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 -2.5583 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4732 -1.4177 -2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -2.7903 -1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 -2.7987 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5709 -1.9166 2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 -2.8532 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9651 -3.1932 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6828 0.0624 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6661 -0.1883 1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 -1.3991 0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 1.2568 0.4198 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 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 5 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 12 17 2 0 17 3 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 4 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 9 30 1 0 9 31 1 0 9 32 1 0 11 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 16 41 1 0 16 42 1 0 17 43 1 0 M END