HMDB0039253 RDKit 3D Crosatoside B 61 63 0 0 0 0 0 0 0 0999 V2000 -1.8804 2.7789 -2.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 1.6979 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2462 0.5173 -1.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3456 -0.1520 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6158 -1.2981 -0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5673 -1.3539 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7269 -1.4466 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8865 -0.3901 -1.2609 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 0.3674 -0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 1.0103 0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 1.8194 0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 3.1383 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2127 3.9778 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 3.4708 1.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 4.3076 1.3878 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3355 2.1412 1.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 1.3056 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8922 -2.6756 -1.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0471 -3.6698 -0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4557 -4.9789 -1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 -5.3504 -0.9262 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0519 -3.7030 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3386 -3.5108 1.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7775 -2.5073 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4745 -2.1311 2.6297 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7884 -0.2985 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5954 -0.6584 -1.2178 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2576 1.0950 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6287 1.1801 0.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6384 2.1530 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7913 3.0023 0.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2594 2.4731 -2.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 3.6901 -2.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2564 3.0270 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6018 1.6751 -2.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8906 0.5281 0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4609 -0.4326 0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -1.4096 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 -0.3502 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2302 1.1198 -1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 1.7414 0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7831 0.3081 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2757 3.5944 -0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2097 5.0298 0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1295 4.3650 0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2307 1.7829 2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 0.2794 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0213 -3.4827 -0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -5.7475 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3347 -4.8471 -2.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7005 -6.2712 -0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3951 -4.6425 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -3.7197 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8484 -2.8168 1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -2.2908 3.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9581 -0.9469 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4103 -1.1194 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8575 1.2312 1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8417 1.8779 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4746 2.8344 -0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 2.6809 1.0940 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 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 7 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 4 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 2 1 0 24 6 1 0 17 11 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 4 36 1 0 6 37 1 0 7 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 12 43 1 0 13 44 1 0 15 45 1 0 16 46 1 0 17 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 22 52 1 0 23 53 1 0 24 54 1 0 25 55 1 0 26 56 1 0 27 57 1 0 28 58 1 0 29 59 1 0 30 60 1 0 31 61 1 0 M END