HMDB0258470 RDKit 3D 2-Propenamide, 2-cyano-3-(4-hydroxy-3,5-bis(1-methylethyl)phenyl)- 40 40 0 0 0 0 0 0 0 0999 V2000 -0.5081 2.9944 2.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5127 2.1208 1.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 3.0409 0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7616 1.1588 0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 1.2872 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3352 0.4357 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7498 0.6617 -0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7478 -0.1231 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0893 0.3714 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 0.7577 -0.8621 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6686 -1.4344 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -1.9464 0.7276 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7171 -2.1569 0.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6162 -0.5733 -0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 -0.7536 -0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 -1.8098 -1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7997 -2.7291 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 -2.5508 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4166 0.1320 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7817 0.0014 0.3109 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2479 2.3289 2.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 3.6313 1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0228 3.5788 3.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1515 1.5277 2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5892 2.5893 -0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 4.0130 0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2513 3.2985 1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 2.0732 1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 1.6763 -0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9921 -2.7842 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -1.4286 1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 -1.2812 -1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3099 -1.2782 -1.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1852 -3.0686 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 -2.3704 -3.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 -3.6740 -2.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 -2.3676 -0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9382 -2.2927 0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1969 -3.6625 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3015 0.6066 0.8960 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 1 0 7 8 2 3 8 9 1 0 9 10 3 0 8 11 1 0 11 12 1 0 11 13 2 0 6 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 15 19 2 0 19 20 1 0 19 4 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 5 28 1 0 7 29 1 0 12 30 1 0 12 31 1 0 14 32 1 0 16 33 1 0 17 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 20 40 1 0 M END