HMDB0304829 RDKit 3D Gum arabic 41 40 0 0 0 0 0 0 0 0999 V2000 -5.6530 1.7777 2.6322 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1868 0.8934 1.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4612 -0.4381 2.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3802 1.2028 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9709 -0.0592 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1562 0.1241 -1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8569 0.8407 -1.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9204 0.1583 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5402 -1.2286 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 -1.7833 0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5848 -0.9710 0.6528 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6278 -1.0989 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -2.0840 -1.0641 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8121 -0.2435 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9139 -0.4016 -0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0173 0.4142 -0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0247 1.3931 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9234 1.5588 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8453 0.7289 1.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7241 0.8926 1.8766 O 0 0 0 0 0 1 0 0 0 0 0 0 0.0000 0.0000 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0 -5.4690 -1.1853 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4961 1.7852 1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 1.8887 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4453 -0.6997 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8946 -0.6058 -0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9281 -0.8813 -1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 0.6577 -2.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 0.8220 -2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9593 1.8973 -0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 0.7632 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 0.0863 0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0896 -1.2699 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 -1.8241 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1263 -1.9566 1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 -2.8121 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -1.8470 -2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9234 -1.1725 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8954 0.3014 -1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8860 2.0432 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9283 2.3330 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 14 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 13 37 1 0 15 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 M CHG 2 20 -1 21 1 M END