HMDB0037454 RDKit 3D Graveobioside B 72 76 0 0 0 0 0 0 0 0999 V2000 3.9339 4.1013 2.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 4.1126 2.2785 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6354 3.1314 1.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7798 2.1438 0.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 1.1648 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 0.1389 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 -0.8778 -1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5469 -1.8387 -1.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8377 -2.7474 -2.3997 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2817 -1.7508 -1.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 -2.6552 -1.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4703 -3.6905 -2.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0392 -2.4654 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 -1.4539 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4695 -1.2592 0.6947 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5753 -2.0508 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1793 -2.4627 1.7064 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0581 -3.4781 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3823 -4.7833 1.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 -5.0062 1.2043 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4816 -3.6446 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7327 -4.2953 0.0442 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6401 -2.3313 -0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5578 -2.6284 -2.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 -1.2883 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -0.5614 -1.1924 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0524 0.7754 -1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 1.3007 -2.2765 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3758 2.6395 -2.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1287 2.8644 -1.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 3.4656 -2.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4998 3.7133 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4318 3.9864 0.4604 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7112 1.4557 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 0.9832 -2.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 -0.5653 0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -0.7113 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9816 0.1767 0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4547 1.1886 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3385 2.1549 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9253 3.1079 0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8515 4.0674 1.2553 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 5.0460 3.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7754 3.2815 3.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 3.9843 1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7627 2.1227 1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 -0.9427 -1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2015 -4.0223 -2.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7235 -3.1976 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 -2.9248 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9236 -3.3589 2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0591 -5.6325 1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1554 -4.7799 2.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5082 -5.4407 1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8101 -4.3238 -0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1097 -4.3900 -0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7062 -2.0102 -0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0637 -1.9389 -2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1871 -0.6903 0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6239 1.2112 -0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 2.8900 -3.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2212 3.2612 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7699 4.2372 -1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9189 4.6694 -0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3433 3.1984 0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 4.8271 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 1.5561 -0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1073 1.6349 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 0.2385 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7827 0.4438 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3569 2.1285 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 4.7956 1.9017 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 30 34 1 0 34 35 1 0 14 36 1 0 36 37 2 0 37 38 1 0 5 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 41 3 1 0 38 6 1 0 37 10 1 0 25 16 1 0 34 27 1 0 1 43 1 0 1 44 1 0 1 45 1 0 4 46 1 0 7 47 1 0 12 48 1 0 13 49 1 0 16 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 21 55 1 0 22 56 1 0 23 57 1 0 24 58 1 0 25 59 1 0 27 60 1 0 29 61 1 0 29 62 1 0 31 63 1 0 32 64 1 0 32 65 1 0 33 66 1 0 34 67 1 0 35 68 1 0 36 69 1 0 39 70 1 0 40 71 1 0 42 72 1 0 M END