HMDB0035784 RDKit 3D Aloinoside B 72 76 0 0 0 0 0 0 0 0999 V2000 4.8687 3.1495 0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 1.8163 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 0.8678 0.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0961 0.3514 -0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9351 -0.3747 -0.6412 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 0.0765 -1.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8908 -0.8009 -1.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -1.9441 -2.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 -2.7658 -2.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -3.9532 -3.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -2.4043 -1.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3355 -1.2556 -0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2112 -0.4471 -0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6043 -0.8686 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 0.3755 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 0.2846 1.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 1.3294 2.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3761 2.6050 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5847 3.5582 3.0861 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4615 1.5175 2.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5824 2.5778 3.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3538 1.7550 1.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6497 1.3586 2.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9207 1.0618 0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9127 2.0610 -0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4151 -1.9896 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3223 -1.9132 1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1592 -2.9657 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1375 -4.1195 0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2476 -4.2360 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1848 -5.3816 -1.1097 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 -3.1527 -0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3151 -3.4371 -1.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2911 -4.4910 -2.2362 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3395 -0.4560 -0.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8074 -1.1359 0.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 0.6131 -1.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9505 1.4219 -2.2751 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6144 1.3709 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3380 2.5251 -0.2755 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7514 3.8338 0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1245 3.5645 0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 3.0991 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 2.0254 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0435 1.1573 -1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7477 1.1084 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 0.0884 -2.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8402 -2.2082 -2.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6497 -4.1857 -3.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 0.4403 -0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 -0.5187 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9331 1.0795 -0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4852 1.0345 3.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8101 3.0271 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 2.4590 2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 4.2783 2.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7828 0.6087 3.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3356 2.2684 4.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4135 2.8514 1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1093 0.8650 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7340 0.4006 0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7954 2.5296 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3121 -1.0349 1.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8498 -2.8270 2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8242 -4.9273 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7675 -6.1705 -0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1514 -1.1021 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5744 -2.1051 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3248 0.0813 -1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3991 2.2829 -2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2592 0.7629 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1035 2.6486 0.3355 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 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 2 0 12 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 14 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 30 32 2 0 32 33 1 0 33 34 2 0 4 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 2 1 0 13 7 1 0 24 15 1 0 32 26 1 0 33 11 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 4 45 1 0 6 46 1 0 6 47 1 0 8 48 1 0 10 49 1 0 13 50 1 0 14 51 1 0 15 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 20 57 1 0 21 58 1 0 22 59 1 0 23 60 1 0 24 61 1 0 25 62 1 0 27 63 1 0 28 64 1 0 29 65 1 0 31 66 1 0 35 67 1 0 36 68 1 0 37 69 1 0 38 70 1 0 39 71 1 0 40 72 1 0 M END