HMDB0003329 RDKit 3D Hydroxyacetic acid uroporphyrin III 99103 0 0 0 0 0 0 0 0999 V2000 6.6866 0.8691 1.8417 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0159 1.9533 1.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 2.3306 2.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0986 2.6738 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 2.2063 -0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7908 2.2363 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 3.1975 -0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 4.3789 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8848 4.4408 -3.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7029 4.7579 -3.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7162 4.1407 -4.1262 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 2.8478 -0.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3685 3.4077 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8671 2.7906 -0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 1.6190 -0.8223 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 1.4966 -0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5171 0.4298 -0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -0.9321 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0245 -1.2208 0.3323 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 -2.5746 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6587 -3.0092 0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5866 -2.3875 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9498 -1.0957 0.9618 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 -1.0504 0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1733 0.0492 0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 1.2569 0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 1.6805 0.1586 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8325 -2.3546 0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2816 -2.7777 0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9474 -2.5350 -0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3595 -3.0288 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1559 -2.9607 -1.2891 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8427 -3.5724 0.8561 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 -3.1893 0.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8215 -4.7045 0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6096 -5.0968 -0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5457 -4.8921 -1.4514 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4508 -5.6761 -1.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0448 -3.1379 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3105 -4.5791 -0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 -5.2857 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8236 -6.7283 0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1003 -7.4385 1.6892 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7622 -7.3300 -0.5441 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8779 -2.1744 -0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2159 -2.2858 -1.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2777 -1.6834 -2.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5853 -2.1713 -3.4932 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0703 -0.5875 -2.8662 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 2.6436 0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1893 2.9364 1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2666 3.4443 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8361 4.6282 -0.3383 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5283 3.6660 1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1110 2.7503 1.6635 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0957 4.9237 1.0531 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 3.4488 0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 4.8129 1.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7353 4.5231 2.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 3.3925 2.4568 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3794 5.6045 2.9496 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4528 2.9063 2.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8027 3.7487 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1703 2.7685 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5150 1.1232 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 2.7601 -1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 5.3156 -1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 4.4789 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 3.4488 -4.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 4.4828 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8561 0.8821 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5963 0.6216 -0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 -3.9960 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2579 -0.2222 1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1614 -0.0253 1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 -2.1457 1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 -3.8424 1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0431 -1.4559 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 -3.0291 -1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1776 -4.5435 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 -5.0915 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 -5.0112 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -5.2110 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1051 -4.7223 -1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 -5.0039 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5082 -4.8041 1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 -5.1764 1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 -7.3688 -1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5757 -3.3367 -1.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9736 -1.7315 -0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6735 -0.2272 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9776 3.7458 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5348 2.0050 1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5155 2.7616 -0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 4.4676 -1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2968 5.3554 0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6128 5.1073 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2017 5.5218 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9898 6.3662 3.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 7 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 24 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 28 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 20 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 39 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 16 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 2 0 54 56 1 0 50 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 26 6 1 0 27 12 1 0 57 14 2 0 45 18 1 0 34 22 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 8 67 1 0 8 68 1 0 11 69 1 0 13 70 1 0 15 71 1 0 17 72 1 0 21 73 1 0 23 74 1 0 25 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 30 79 1 0 33 80 1 0 35 81 1 0 35 82 1 0 38 83 1 0 40 84 1 0 40 85 1 0 41 86 1 0 41 87 1 0 44 88 1 0 46 89 1 0 46 90 1 0 49 91 1 0 51 92 1 0 51 93 1 0 52 94 1 0 53 95 1 0 56 96 1 0 58 97 1 0 58 98 1 0 61 99 1 0 M END