HMDB0039852 RDKit 3D Deoxynivalenol 3-glucoside 62 66 0 0 0 0 0 0 0 0999 V2000 -6.1488 2.2236 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8934 1.5018 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 2.0176 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5325 1.1922 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3119 1.7833 -0.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3068 1.0927 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 0.3904 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8258 0.1363 0.0615 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7991 0.6990 -0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 -0.3331 -1.3964 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1179 -1.0687 -0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6987 -2.3737 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6623 -2.1802 -1.8841 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2661 -0.2720 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 -1.0222 1.2078 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 1.1120 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0299 1.9271 0.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6857 1.6722 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9477 2.3776 0.8819 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2217 -0.8930 -0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.9344 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6138 -2.3387 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8562 -0.0458 1.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -0.3161 2.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 -0.7754 2.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6212 -0.2234 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6888 -0.2268 -1.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7946 0.4584 -2.1913 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8572 -0.8424 0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3425 -1.8976 -0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9462 0.1397 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9318 -0.2397 1.2972 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8037 1.6308 -0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9036 3.1769 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7066 2.5200 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 3.0231 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5393 1.1013 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 1.8168 1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5701 0.9931 -1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 1.2057 -1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3592 -1.3322 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8753 -2.9968 -1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1175 -2.9815 -0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 -1.4251 -2.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0576 -0.2606 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1461 -1.0727 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 1.1062 1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4716 1.5895 -0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0224 2.4486 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 3.2010 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4736 -1.7498 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4679 -1.0690 -1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2469 -2.8575 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0109 -2.4933 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -2.8603 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4941 -1.1585 3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7567 0.4828 3.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8034 0.3813 -2.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6702 -1.2509 -2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5975 -0.0895 -2.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5563 -1.2041 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6531 -2.6162 0.2176 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 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 7 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 21 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 29 31 1 0 31 32 2 0 31 2 1 0 26 4 1 0 23 6 1 0 18 9 1 0 25 23 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 4 37 1 0 6 38 1 0 7 39 1 0 9 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 22 53 1 0 22 54 1 0 22 55 1 0 24 56 1 0 24 57 1 0 27 58 1 0 27 59 1 0 28 60 1 0 29 61 1 0 30 62 1 0 M END