HMDB0040891 RDKit 3D 3',4',5'-Trimethoxycinnamyl alcohol acetate 37 37 0 0 0 0 0 0 0 0999 V2000 -2.1306 -3.7087 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 -2.4723 0.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 -1.3079 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 -1.3485 -0.7676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1698 -0.1981 -0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -0.3204 -1.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4025 0.3913 -1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6553 1.4975 -0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 1.1216 -0.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 -0.0224 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 -0.4951 1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -0.7251 0.6732 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3592 0.9445 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5766 0.9789 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0559 2.1699 0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3045 3.3455 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 -0.1551 0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5302 -0.1503 1.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7207 0.0791 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 -4.4006 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8115 -3.5633 -1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3047 -4.0683 0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2324 -2.2864 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -1.1409 -2.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2481 0.1834 -2.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9643 1.6009 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7804 2.4499 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 -1.5993 1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9707 -0.0932 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 -0.1623 2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 1.9083 -0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7589 4.1742 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 3.2425 0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3236 3.6456 -0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4686 0.8086 -0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0485 -0.8592 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5189 0.5357 0.9896 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 5 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 2 0 17 18 1 0 18 19 1 0 17 3 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 11 28 1 0 11 29 1 0 11 30 1 0 13 31 1 0 16 32 1 0 16 33 1 0 16 34 1 0 19 35 1 0 19 36 1 0 19 37 1 0 M END