HMDB0010345 RDKit 3D Aldosterone 18-glucuronide 74 79 0 0 0 0 0 0 0 0999 V2000 -2.7382 -1.0405 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -1.3480 -2.1888 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6583 -2.5011 -1.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0593 -3.5671 -3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5013 -3.8485 -2.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0974 -4.8141 -3.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3277 -2.9934 -1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9127 -1.7759 -1.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6196 -0.8189 -0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7673 -0.3524 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 -0.2750 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5455 0.7160 0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2922 1.8962 1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2114 2.8838 1.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1049 2.3449 1.0769 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9660 3.4355 0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3568 3.5105 -0.5247 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 4.5410 1.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9516 4.3858 2.8055 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3791 1.3644 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8744 1.8811 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9538 0.5201 -1.9495 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2053 -0.1073 -1.6066 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 0.2696 -0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8859 0.5692 -0.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5843 -0.2883 0.6326 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1489 0.3335 1.7596 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -0.7100 2.4637 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8492 -0.4295 3.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3858 -1.2573 4.6568 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 0.7295 4.4458 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 -0.9098 1.8286 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5950 -2.1870 2.1382 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0397 -0.6815 0.3468 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5181 0.5665 -0.0303 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -0.9602 -0.2022 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4428 -2.3408 -0.2956 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 -0.0924 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 -0.0358 -3.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -1.7542 -4.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7439 -1.0877 -4.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 -2.9749 -0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 -2.2423 -2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4968 -4.4879 -2.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8772 -3.1230 -4.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2601 -3.3255 -1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0087 0.0638 -1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5153 -1.3150 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -1.0788 1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1508 0.6152 0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8766 -1.2873 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0857 0.2157 1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 1.7149 2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9311 2.3789 0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0975 2.8989 2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4273 3.8948 1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6696 1.8525 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5216 4.6244 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 5.5285 1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1673 4.9612 2.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9068 2.2883 -1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2443 2.5727 -1.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 0.6658 -3.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 -0.6380 0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9318 -1.1028 1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2096 -1.6639 2.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0895 0.8046 5.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8504 -0.1697 2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0187 -2.6172 1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -1.4428 -0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 1.2554 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6628 -0.5839 -1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2752 -2.7007 -0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 0.6476 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 15 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 28 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 22 38 1 0 8 2 1 0 38 11 1 0 38 2 1 0 20 12 1 0 36 26 1 0 24 20 1 0 1 39 1 0 1 40 1 0 1 41 1 0 3 42 1 0 3 43 1 0 4 44 1 0 4 45 1 0 7 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 1 18 58 1 0 18 59 1 0 19 60 1 0 21 61 1 0 21 62 1 0 22 63 1 6 24 64 1 0 26 65 1 1 28 66 1 1 31 67 1 0 32 68 1 1 33 69 1 0 34 70 1 6 35 71 1 0 36 72 1 6 37 73 1 0 38 74 1 0 M END