HMDB0260323 RDKit 3D N-Methoxy-3-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-pyrrolidone 53 54 0 0 0 0 0 0 0 0999 V2000 6.2489 0.4162 -1.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1615 1.3003 -1.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4762 0.9086 -0.4909 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0258 0.8234 0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2486 -0.3640 1.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8755 -0.1569 0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7786 -0.5287 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4137 -0.3356 0.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0534 0.8621 0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3478 0.9841 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8149 2.3026 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 2.2224 -1.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7021 3.3176 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9865 2.8236 0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2197 -0.0809 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5158 -0.0241 -0.4799 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7739 -1.3135 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 -2.5040 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8861 -3.6883 1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9068 -2.3513 1.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9524 -2.9079 -0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4847 -1.4081 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 0.4936 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2712 0.6933 -1.3071 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 -0.4148 -1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1692 1.0117 -1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2883 0.0584 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 1.7146 1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1019 0.6513 0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2688 -0.4323 2.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 -1.3318 0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -1.0465 2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 1.7366 0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1596 1.1826 -2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5146 2.8070 -2.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2237 2.6483 -2.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1098 4.2737 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1298 3.0175 -1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4219 3.4914 0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7871 3.1297 -0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7137 3.7155 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3293 2.0707 1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9921 0.7615 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 -4.5901 1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5528 -3.4767 2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9859 -3.9450 0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6918 -1.7983 0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3221 -3.3835 1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -1.9641 2.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7785 -2.3337 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -2.7078 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1369 -3.9852 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0641 -2.3452 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 10 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 17 22 2 0 6 23 1 0 23 24 2 0 23 3 1 0 22 8 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 7 32 1 0 9 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 M END