HMDB0039354 RDKit 3D Methyl 6-O-galloyl-beta-D-glucopyranoside 42 43 0 0 0 0 0 0 0 0999 V2000 -4.6657 2.5321 -0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4572 1.8312 -0.7491 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 0.8399 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6879 1.0165 1.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 0.5373 1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 1.2996 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 0.8283 -0.1903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6543 0.7679 0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 1.1831 1.8887 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 0.2420 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2819 -0.2174 -0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5509 -0.7109 -1.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 -1.1724 -2.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5316 -0.7470 -0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 -1.2410 -0.5182 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2514 -0.2937 1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2518 -0.3319 1.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9838 0.1998 1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3793 -0.9587 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8673 -1.6672 1.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8232 -1.4439 0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -2.7754 0.3127 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4202 -0.5474 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 -0.9860 -0.8356 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6105 3.3165 -1.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4218 1.7937 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9754 2.9779 0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5843 0.8745 0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8639 0.6937 2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2018 1.2502 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6969 2.3761 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5062 -0.1853 -1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1725 -1.1734 -3.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0679 -1.5834 -1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 0.0079 2.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 0.5409 2.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 -1.2019 -0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5789 -2.5528 1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4181 -1.2522 1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5143 -2.9379 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7609 -0.5409 -1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 -0.5886 -1.7174 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 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 5 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 3 1 0 18 10 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 11 32 1 0 13 33 1 0 15 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 M END