HMDB0037682 RDKit 3D Ethylvanillin glucoside 43 44 0 0 0 0 0 0 0 0999 V2000 -4.5570 -1.8653 -1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6803 -1.0529 -2.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5384 -0.6602 -1.4066 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 0.1387 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6075 0.6516 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5319 1.4572 1.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7452 2.0003 2.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8916 1.7667 1.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3089 1.7452 2.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 1.2118 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2103 0.4274 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1342 -0.1197 -0.3354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2044 -0.0490 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 0.5353 -1.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1609 0.9487 -0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9371 1.9205 -1.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 2.3137 -0.6655 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0008 -0.2282 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7538 0.1386 1.0595 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2512 -1.4940 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 -2.3716 -0.9406 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 -1.3849 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1094 -2.3608 -0.4719 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1436 -1.8590 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 -1.4438 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6093 -2.9287 -1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2721 -0.1807 -2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3963 -1.7023 -2.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6085 0.4682 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6565 2.6176 2.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2631 2.3687 2.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 1.4432 1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3327 0.5949 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8842 1.4913 0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 1.3572 -2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 2.8165 -1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0016 2.3526 0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7602 -0.3625 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9742 -0.6697 1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6927 -2.0156 1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -3.1900 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4895 -1.6000 1.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 -3.2269 0.0398 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 2 0 5 6 1 0 6 7 1 0 7 8 2 0 6 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 11 4 1 0 22 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 5 29 1 0 7 30 1 0 9 31 1 0 10 32 1 0 13 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 M END