HMDB0034627 RDKit 3D 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucoside 49 50 0 0 0 0 0 0 0 0999 V2000 6.7179 -0.5042 1.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0086 -0.7354 0.6628 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6493 -0.6427 0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7826 -0.3034 1.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 -0.2212 1.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -0.4814 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -0.4274 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 0.2485 -1.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4073 0.2430 0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 0.3425 0.5489 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 1.0574 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0768 2.0799 -0.1317 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 1.5405 0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7821 1.7122 2.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6884 3.0884 2.4302 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4349 0.1275 0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 -0.7797 1.3562 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1316 -0.3653 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9614 -1.7528 -0.9234 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8638 0.2201 -1.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2371 1.0698 -2.5963 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7495 -0.8266 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 -0.9103 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9686 -1.2550 -1.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4004 -1.5208 -3.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7592 -0.1523 1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2098 0.2873 2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7985 -1.4628 2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 -0.0938 2.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7664 0.0457 2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0851 -1.4906 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2613 -0.3488 -2.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1981 -0.1650 1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 1.2990 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 1.5772 -1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9853 2.1728 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 1.2029 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6424 1.3403 2.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1901 3.5514 1.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5564 0.0352 0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4827 -0.6497 2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -0.2079 -1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5141 -2.1541 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2261 -0.5618 -1.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9836 0.7020 -3.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3547 -1.0393 -1.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6511 -2.3409 -2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 -0.6603 -3.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1524 -1.8900 -3.7642 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 2 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 6 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 23 3 1 0 20 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 11 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 25 47 1 0 25 48 1 0 25 49 1 0 M END