HMDB0261532 RDKit 3D PE(18:3(6Z,9Z,12Z)/PGD2) 128128 0 0 0 0 0 0 0 0999 V2000 -15.5676 2.3159 4.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3268 1.7944 3.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4185 2.3226 2.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4367 1.9529 1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0349 2.3302 1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2841 1.8015 2.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2716 0.9711 2.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6937 0.4036 1.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2143 0.6396 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5468 1.2026 -1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1415 1.7042 -1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3571 0.9886 -2.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2948 0.2990 -1.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7584 0.1626 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3167 0.7277 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3018 2.1657 -0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 2.7329 -0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 2.0629 -1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 1.1482 -2.5661 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8523 2.4650 -2.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0455 1.9850 -3.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 0.6783 -2.8333 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2306 -0.5054 -2.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 -1.6999 -2.8193 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -3.0660 -2.7593 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2774 -3.0788 -4.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4568 -3.0088 -1.4018 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5574 -4.4217 -2.6805 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1016 -5.6114 -2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8814 -6.7552 -2.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -6.6178 -3.7809 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4772 0.6134 -1.6462 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8295 0.3886 -1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3671 0.2375 -2.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6599 0.3221 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9768 -1.0697 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7211 -1.8519 -1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -1.1911 -1.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1374 -1.7822 -1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3885 -3.1356 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2727 -3.0253 0.3793 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5575 -4.3821 0.9523 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2875 -5.4125 0.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9978 -4.3667 1.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6408 -3.3277 0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8272 -3.2233 0.3173 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5914 -2.4170 0.0623 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7581 -1.0828 0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9620 0.0427 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1310 1.3769 0.7193 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7203 2.2498 -0.1944 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 1.9589 1.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9967 3.3073 1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8739 3.2767 3.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0139 4.6695 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6493 5.1834 4.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4664 2.1202 3.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5387 1.7487 5.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3721 3.3703 4.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3662 0.6946 3.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5001 2.1476 4.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5656 3.4558 2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4509 1.9715 1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5592 0.8202 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8047 2.3028 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4936 2.4807 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1233 3.4995 1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5440 2.1456 3.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7905 0.6611 3.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5553 0.5418 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7153 -0.7589 1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2682 0.2905 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1253 1.2980 -2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2289 2.7762 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7388 1.8350 -0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7374 1.0738 -3.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7295 -0.2357 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3264 0.5247 0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5976 -0.9428 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0479 0.6689 0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6371 0.0705 -0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8863 2.4094 -1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8642 2.7192 0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4338 2.4443 0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8816 3.8220 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4606 1.9394 -4.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 2.8042 -3.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3545 0.5044 -3.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 -0.5065 -1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9172 -0.6126 -3.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2314 -3.6124 -1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -5.7559 -2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -5.6475 -3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3637 -6.7172 -1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4022 -7.7440 -2.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7752 -6.1010 -3.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6546 -6.1858 -4.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1536 0.8217 0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 0.8970 -0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0278 -1.6258 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -0.9996 0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9933 -1.8434 -2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8051 -2.8720 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9564 -0.1675 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0435 -1.2184 -1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9880 -3.7309 -1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5031 -3.7486 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7679 -2.3888 1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8845 -4.5395 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4828 -5.9121 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4675 -5.3563 1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0125 -4.0656 2.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 -2.1938 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7101 -1.0362 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0103 -0.0315 -1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8007 1.3267 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6650 2.4606 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1179 2.1121 0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3508 1.2717 1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4151 4.0163 1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0041 3.6936 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9085 2.9275 2.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 2.6176 3.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6579 4.5618 4.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4766 5.3724 2.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9776 4.3049 4.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6673 5.7693 4.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2402 5.8081 3.2073 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 2 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 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 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 47 41 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 6 23 89 1 0 23 90 1 0 27 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 1 42109 1 1 43110 1 0 44111 1 0 44112 1 0 47113 1 6 48114 1 0 49115 1 0 50116 1 1 51117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 54122 1 0 54123 1 0 55124 1 0 55125 1 0 56126 1 0 56127 1 0 56128 1 0 M END