HMDB0040565 RDKit 3D Aloesol 7-glucoside 52 54 0 0 0 0 0 0 0 0999 V2000 -0.6861 3.7583 -1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7768 2.3382 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3553 1.5183 -0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2831 0.2155 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3675 -0.6178 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7036 -0.3450 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1151 -1.2508 -1.2934 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4707 -1.3269 -1.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 -0.0526 -2.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4621 0.1532 -3.3511 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 -1.6855 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1159 -0.6488 0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2559 -1.7750 0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3927 -2.8532 0.8372 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4722 -0.4895 0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3161 0.5929 1.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9547 -0.2955 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 0.4991 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -0.0502 0.4577 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3544 0.6060 0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6645 -0.0066 0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4970 -1.4557 1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8726 -1.9807 1.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6827 -1.5971 2.3239 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3455 1.9142 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 2.5420 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1297 3.7440 -0.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0049 1.8222 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 3.9641 -1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9518 4.4649 -0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 3.9537 -1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2915 1.9451 -0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 0.7006 -0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 -2.1370 -2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1236 -0.1453 -2.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7758 0.8443 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 -0.7570 -3.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8377 -2.6037 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4205 -0.7401 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8438 -1.9226 1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4436 -2.6112 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7899 -0.5428 1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0342 1.4133 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 -1.3252 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0729 0.5781 1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3762 0.0012 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1323 -2.0459 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7880 -3.0490 1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5175 -1.9676 0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3221 -1.3412 2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -2.4198 2.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2725 2.4704 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 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 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 4 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 20 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 2 1 0 15 6 1 0 28 18 2 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 6 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 23 48 1 0 23 49 1 0 23 50 1 0 24 51 1 0 25 52 1 0 M END