HMDB0036235 RDKit 3D alpha,alpha-Dimethylphenethyl formate 27 27 0 0 0 0 0 0 0 0999 V2000 -2.7721 -0.7379 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4895 -0.1824 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -0.7992 1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 -0.7131 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 -0.2910 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 0.8528 -0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 1.3047 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 0.6065 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9709 -0.5461 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -0.9811 0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 1.1894 0.2318 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 2.0493 -0.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8002 1.5025 -1.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6663 -0.4299 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8116 -0.5782 -1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 -1.8556 -0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1651 -1.8649 1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 -0.2461 2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4909 -0.7940 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 -0.4329 -1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3868 -1.8405 -0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 1.4589 -1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2258 2.2040 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4831 0.9776 0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -1.0833 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3331 -1.8843 1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7174 3.1147 -0.6864 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 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 2 11 1 0 11 12 1 0 12 13 2 0 10 5 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 12 27 1 0 M END