HMDB0040417 RDKit 3D Majonoside R1 129135 0 0 0 0 0 0 0 0999 V2000 6.8145 4.3980 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6639 3.1663 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8172 3.6270 1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2013 2.7451 -0.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9073 2.1158 1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8469 1.0157 1.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9147 -0.1928 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9507 0.2374 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5926 -0.2453 -1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6588 -0.5153 0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2353 -0.0861 1.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7589 0.1474 1.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 0.0853 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6538 1.4151 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -0.1077 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4076 -0.9071 -1.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6382 -0.1263 -2.7083 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 -1.7909 -1.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9888 -1.2777 -1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2392 -2.0611 -1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8158 -1.4124 -2.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -3.4894 -1.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1952 -4.2500 -2.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 -4.2221 -1.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8616 -5.0704 0.0254 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 -2.8020 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4661 -2.1617 -1.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2052 -3.0138 0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2289 -2.0852 -0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2112 -0.8226 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2347 -0.6012 1.3522 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 0.6365 1.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2992 1.3633 2.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 1.0514 3.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 0.8356 4.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6328 0.5270 5.9817 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 -0.0520 3.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 -1.3234 3.5689 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8921 0.2730 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8007 -0.7632 2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2255 0.7580 1.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 0.2340 0.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4125 1.1115 -0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 1.2701 -1.9282 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3068 2.4435 -2.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3886 3.0755 -3.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0035 4.2366 -3.9388 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 2.1984 -2.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7859 2.0953 -4.3498 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2157 0.8917 -2.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5774 0.7764 -2.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8557 0.7846 -0.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6776 1.6385 -0.1781 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 -0.7106 1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 -1.0933 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 -2.3033 1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8354 1.5911 0.3583 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5245 5.1609 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3079 4.7736 0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1405 4.1244 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3104 4.5336 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 3.9485 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5867 2.8433 1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0859 2.3311 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 2.6025 2.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6811 0.8824 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2613 1.0915 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4469 -1.1205 1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4514 -0.2490 2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2324 0.2474 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6815 0.0502 -0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6146 -1.3438 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9364 -1.5807 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7452 0.8596 2.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5441 -0.8195 2.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1782 -0.5298 2.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5365 1.1623 2.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 1.4371 -0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4323 2.0463 -0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4782 2.0195 1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8347 0.9381 -0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 -1.6080 -1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9984 -0.7152 -3.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -2.8700 -1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9591 -1.7308 -2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9012 -0.2379 -1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 -1.2882 -3.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1724 -0.3778 -2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5693 -1.9648 -3.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5093 -4.0828 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 -3.6014 -2.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 -5.3204 -2.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5857 -3.9965 -3.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1732 -4.5973 -1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1123 -6.0016 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2922 -1.1279 -1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 -2.8176 -2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5264 -2.1885 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7585 -3.9936 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9497 -2.2459 1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4832 -3.0770 1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 -2.8378 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1187 0.0554 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2809 1.2307 0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4853 1.9691 4.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1422 0.0933 4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4025 1.8065 5.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4384 -0.4216 6.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5571 -0.0638 4.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8761 -2.0042 4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5343 1.1123 2.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4264 -0.8768 3.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5178 1.8729 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3722 2.1294 -0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3961 3.1595 -1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0318 2.4204 -4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4874 3.4284 -2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8776 4.3936 -3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4028 2.9836 -2.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2329 2.8452 -4.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7026 0.0514 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8068 -0.0443 -3.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0141 -0.2773 -0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4607 1.1152 0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1429 0.3344 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 -1.3455 2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 -2.7529 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2088 -3.1191 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 -2.0820 1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 34 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 45 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 30 54 1 0 54 55 1 0 55 56 1 0 8 57 1 0 57 5 1 0 15 10 1 0 55 19 1 0 55 13 1 0 29 20 1 0 41 32 1 0 52 43 1 0 1 58 1 0 1 59 1 0 1 60 1 0 3 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 9 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 14 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 21 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 25 95 1 0 27 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 28101 1 0 29102 1 0 30103 1 0 32104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 41113 1 0 43114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 48119 1 0 49120 1 0 50121 1 0 51122 1 0 52123 1 0 53124 1 0 54125 1 0 54126 1 0 56127 1 0 56128 1 0 56129 1 0 M END