HMDB0251991 RDKit 3D Bempedoic acid 60 59 0 0 0 0 0 0 0 0999 V2000 6.6004 0.5315 1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 0.3394 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5366 1.3322 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3156 -1.1012 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6998 -1.7675 1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 -1.2616 1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -1.5068 0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9909 -0.9722 0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0621 -1.2578 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 -0.6404 -1.7262 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3672 -0.8624 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4772 0.5901 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8917 1.0332 0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8395 0.7937 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2439 1.2099 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0097 0.5998 0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4259 1.2192 0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 0.9453 2.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 -0.8603 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3232 -1.3954 0.4163 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1046 -1.7269 0.4074 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 0.6357 -1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6129 0.9591 -1.2893 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7555 0.5309 -2.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3679 1.2662 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0569 0.9514 1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0723 -0.4169 1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6096 1.0072 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 2.2290 -0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 1.8173 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3057 -1.6127 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7135 -1.3038 -1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3738 -1.8373 1.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5779 -2.8623 0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9415 -1.7315 2.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3517 -0.1747 1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 -1.1351 -0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2685 -2.6198 0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 0.1183 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6238 -1.4294 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0527 -2.3521 -0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 0.3330 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 -1.4437 0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9728 -1.1827 -1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 0.9204 0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 1.1542 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8165 2.0795 0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1813 0.3418 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4468 1.3994 -1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7483 -0.2592 -1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2765 2.3185 -0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7956 0.9731 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9481 1.1026 1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2635 2.2940 0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9263 0.7017 -0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1216 0.0723 2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8801 1.8232 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 1.2611 2.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0966 -2.4061 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1293 1.2355 -2.8365 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 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 1 0 16 18 1 0 16 19 1 0 19 20 2 0 19 21 1 0 2 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 17 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 18 58 1 0 21 59 1 0 24 60 1 0 M END