HMDB0263153 RDKit 3D PA(PGD1/14:1(9Z)) 114114 0 0 0 0 0 0 0 0999 V2000 -13.3787 0.4111 -1.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1875 0.7631 -2.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7970 -0.3825 -3.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4961 -1.0515 -3.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3388 -1.5951 -1.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3766 -1.2667 -1.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3166 -0.3133 -1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3282 0.8208 -0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2125 1.7807 -0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8924 1.1054 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6892 0.5329 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7287 1.5810 1.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6589 2.6349 1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3023 2.0423 1.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 2.8581 1.9095 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0148 0.7332 2.1358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7668 0.1611 2.3200 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3089 -0.7718 1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 -1.3485 1.5783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1203 -0.7274 1.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1387 0.5111 1.7339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 -1.5568 2.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4803 -0.6971 2.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0085 0.0962 1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 -0.6825 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5622 -1.6648 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 -1.2444 1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7149 -0.2881 0.4398 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9387 -0.0393 1.3558 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5387 0.1526 2.6616 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6887 -1.3407 1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4664 -1.7914 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -2.7354 -0.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4789 -0.8997 -0.7615 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1470 0.1920 -1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8684 0.3618 -2.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4739 1.4047 -3.6242 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5793 2.4645 -3.7917 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7572 1.9307 -3.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8422 0.9157 -2.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 1.5350 -2.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1745 0.5170 -2.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5329 -0.0529 -3.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6022 -0.5079 3.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5362 -1.5247 3.8166 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3954 -2.2930 5.3013 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.7902 -2.3605 5.9311 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9075 -3.8877 5.0335 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3461 -1.4638 6.3387 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4765 0.5799 -0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6774 -0.6647 -1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2091 1.0413 -0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0797 1.2849 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3273 1.4978 -2.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8191 -0.0325 -4.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6006 -1.1709 -3.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4997 -1.9705 -3.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6339 -0.4749 -3.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0937 -2.3392 -1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3429 -1.7398 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2441 0.0576 -2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3074 -0.8303 -1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3016 1.3738 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2459 0.4191 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3244 2.6286 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3338 2.2396 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7321 0.3016 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0441 1.8286 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3987 -0.2609 1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 0.0598 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7419 2.0286 1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5493 1.0533 2.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6385 3.1328 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8203 3.4201 2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0116 1.0092 2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -1.5910 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 -0.2435 0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4954 -2.3183 1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0228 -2.1334 3.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1164 0.0606 3.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2765 -1.2386 3.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8172 0.7622 1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 0.8069 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6155 -1.2567 -0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 0.0374 -0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 -2.2113 -0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0929 -2.4673 1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 -2.1776 1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6206 -0.8657 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 0.6681 0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5399 0.7987 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3697 -0.6864 3.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -2.0787 2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7882 -1.1904 1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7666 -1.4726 -1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8400 0.8236 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -0.3071 -3.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6883 1.0027 -4.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 2.8635 -4.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1184 2.7887 -3.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5433 2.3719 -2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5928 0.0228 -2.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0684 0.5326 -3.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8864 1.9783 -1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4484 2.3845 -2.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0695 1.0118 -1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 -0.2758 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6517 -0.1686 -3.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0445 -1.0378 -3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2252 0.6247 -4.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5938 -0.9669 3.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8009 0.2042 4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -4.3555 5.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -2.1128 6.8976 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 1 0 5 6 2 0 6 7 1 0 7 8 1 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 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 1 0 29 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 17 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 34 28 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 17 75 1 1 18 76 1 0 18 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 6 29 91 1 6 30 92 1 0 31 93 1 0 31 94 1 0 34 95 1 6 35 96 1 0 36 97 1 0 37 98 1 6 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 48113 1 0 49114 1 0 M END