HMDB0060879 RDKit 3D Candesartan O-glucuronide 73 78 0 0 0 0 0 0 0 0999 V2000 -1.1611 6.5084 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 5.4020 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 4.1386 -0.4784 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5179 3.5607 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2662 4.1759 0.8650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 3.3616 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4203 3.5595 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3561 2.5777 1.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1798 1.4537 1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0603 1.2304 0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 -0.0067 -0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0586 -0.6269 -0.7813 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2393 -0.6660 -0.5382 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3247 -1.8990 -1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 -1.6823 -2.2952 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2326 -0.9045 -1.8854 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1911 -0.7488 -3.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2497 -0.0727 -2.9059 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9272 -1.3619 -4.2239 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9382 -1.3437 -0.6514 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3583 -0.2196 0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -2.2700 0.2404 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0461 -3.2881 0.7531 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0312 -2.9541 -0.3855 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2127 -3.5686 0.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1302 2.2354 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0126 2.3366 -0.3543 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 1.4744 -1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8092 0.7220 -0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1014 0.7060 -1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1633 0.0665 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9945 -0.6049 0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 -1.3215 1.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5312 -0.8230 2.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5303 -1.4447 3.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1066 -2.5936 2.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6570 -3.0996 1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6392 -2.4781 0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2008 -3.0648 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2434 -2.6227 -1.1603 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1836 -3.4634 -2.1675 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0764 -4.4212 -2.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6986 -4.1802 -0.8864 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7382 -0.6016 1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 0.0427 0.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3396 6.9720 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1107 6.2244 -0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 7.3188 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 5.4190 1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0887 5.6508 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4745 4.4832 2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2233 2.7093 2.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.6688 1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3193 -2.2173 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 0.1325 -1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -2.2957 -4.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8988 -1.8426 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2682 -0.4056 1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 -1.7411 1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5144 -4.0959 0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 -3.7177 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 -4.5498 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3109 2.2053 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1821 0.9344 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 1.2336 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1493 0.0683 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0695 0.0842 2.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8705 -1.0373 4.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8965 -3.1025 3.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1164 -4.0192 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1909 -5.1975 -2.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5737 -1.1235 2.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6923 0.0210 1.1174 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 10 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 32 44 1 0 44 45 2 0 27 4 1 0 45 29 1 0 26 6 1 0 38 33 1 0 43 39 2 0 24 14 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 7 51 1 0 8 52 1 0 9 53 1 0 14 54 1 0 16 55 1 1 19 56 1 0 20 57 1 6 21 58 1 0 22 59 1 1 23 60 1 0 24 61 1 6 25 62 1 0 28 63 1 0 28 64 1 0 30 65 1 0 31 66 1 0 34 67 1 0 35 68 1 0 36 69 1 0 37 70 1 0 42 71 1 0 44 72 1 0 45 73 1 0 M END