HMDB0262224 RDKit 3D PE(20:3(5Z,8Z,11Z)/PGD1) 136136 0 0 0 0 0 0 0 0999 V2000 -14.0868 -0.1410 -4.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0653 0.8883 -3.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2987 1.1454 -2.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1445 1.6043 -1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9829 0.6788 -1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3618 -0.5789 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2906 -1.5601 -0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0953 -1.2295 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2288 -0.1423 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9988 0.8871 0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5667 1.0429 2.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8312 1.0739 3.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5772 0.9089 3.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5340 0.6330 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8745 -0.6910 3.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 -0.7725 3.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7057 0.3700 3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1661 0.5951 4.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4617 -0.6146 5.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2585 -1.0090 4.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8349 -2.2226 4.6234 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -0.1704 3.7391 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 -0.7587 3.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 0.1655 2.4031 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0663 0.7645 1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3563 -0.1835 0.1966 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 0.5893 -1.1242 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4453 1.9299 -1.4066 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7015 0.9094 -0.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1168 -0.3671 -2.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2511 -1.4295 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3185 -2.2655 -3.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6759 -2.7632 -3.8905 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 -0.5286 2.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9902 -0.1565 2.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 0.8490 3.3123 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2607 -0.8216 2.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -1.2114 0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4751 -0.0743 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 0.8998 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9218 0.2897 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6348 -0.3166 -0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1604 0.4444 -2.0218 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2705 1.1883 -2.9310 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9318 1.0407 -2.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6321 2.6720 -2.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1136 2.5398 -2.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9416 3.2259 -3.0736 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2009 1.4623 -1.5223 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5445 0.9457 -1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0131 -0.2520 -1.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4637 -0.5965 -1.3136 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7216 -1.9089 -1.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2987 0.3759 -2.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7875 0.1020 -1.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1676 0.2275 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6504 -0.0442 -0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1461 0.0485 1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4385 -0.6718 -4.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0979 0.3030 -4.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8807 -0.9527 -3.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0612 0.6160 -4.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7565 1.8530 -4.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8287 0.2661 -1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0906 1.9633 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4699 1.9970 -0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7271 2.5142 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2900 1.2287 -0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4319 0.4833 -2.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8828 -0.3095 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1834 -1.0737 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7400 -2.4999 0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8834 -1.8600 -1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4289 -2.1771 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2974 -1.3035 1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7476 -0.1912 -0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3472 1.6967 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0817 2.1139 2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5188 0.4428 2.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4554 1.2768 4.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1760 0.9762 4.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8687 0.4765 1.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8479 1.4770 2.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5451 -1.5460 3.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2298 -1.7756 3.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7659 0.0238 2.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9865 1.2805 2.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9665 0.9392 5.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4112 1.4176 4.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1448 -1.5087 5.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 -0.4920 6.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6536 -1.5931 2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2507 -1.2799 3.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 0.9952 3.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5649 1.5237 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 1.2781 1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1874 0.0389 -0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4299 -2.0967 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -1.0225 -2.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4381 -3.0874 -3.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 -1.6522 -4.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6835 -3.7869 -3.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 -2.2876 -3.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2465 -1.7877 2.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1289 -0.2741 2.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -1.8424 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5813 -1.8535 0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 0.4839 -0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6544 -0.5509 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4892 1.8288 -0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3355 1.2149 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5927 1.0192 0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8283 -0.5404 1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9958 -1.1569 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5204 -0.9332 -0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7908 -0.2315 -2.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4926 0.9130 -4.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 1.8499 -2.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 3.1469 -1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4033 3.1590 -3.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8074 1.9256 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3071 1.6749 -0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3574 -1.0441 -1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6604 -0.4072 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9218 -1.9592 -2.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1301 1.4267 -1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1032 0.3345 -3.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9804 -0.9200 -2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3332 0.8126 -2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8413 1.1871 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6352 -0.5843 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1810 0.6453 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7994 -1.1093 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3209 -0.0661 1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8755 -0.7845 1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6693 1.0010 1.3155 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 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 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 49 43 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 29 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 6 44117 1 6 45118 1 0 46119 1 0 46120 1 0 49121 1 1 50122 1 0 51123 1 0 52124 1 1 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 M END