HMDB0034674 RDKit 3D (S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-glucoside 46 48 0 0 0 0 0 0 0 0999 V2000 -6.7039 0.7989 -0.8848 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1802 -0.2283 -0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9512 -1.3670 -0.2835 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7698 -0.2460 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1842 1.1386 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 1.4858 -1.5596 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7441 2.1185 0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9525 2.5020 0.8833 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6774 2.6430 1.4941 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 2.0296 1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 2.2257 1.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1084 1.5228 0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 0.6227 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 -0.1075 -0.6119 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -0.1394 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3244 -1.4088 0.0911 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6181 -1.2907 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 -2.4030 1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -2.2820 2.5992 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5565 -1.2684 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3605 -2.3829 -1.3609 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2764 0.0018 -1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9073 -0.1524 -2.5734 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 0.2629 -1.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -0.3115 -2.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6494 0.4549 -0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 1.1445 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1721 -1.9139 -1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1832 -0.9994 -0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7493 -0.4842 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5525 1.1160 -2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7648 3.3745 2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9735 2.9347 2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 1.6879 1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 0.5616 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -0.3077 1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7202 -3.3746 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8862 -2.3383 1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 -1.4060 3.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6053 -1.2571 -0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6172 -2.9193 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7987 0.8418 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 -0.7329 -2.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7072 1.3747 -1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 -1.2687 -2.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9033 -0.2534 -1.2565 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 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 13 26 1 0 26 27 2 0 27 5 1 0 27 10 1 0 24 15 1 0 3 28 1 0 4 29 1 0 4 30 1 0 6 31 1 0 9 32 1 0 11 33 1 0 12 34 1 0 15 35 1 0 17 36 1 0 18 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 24 44 1 0 25 45 1 0 26 46 1 0 M END