HMDB0007372 RDKit 3D DG(20:0/20:3(8Z,11Z,14Z)/0:0) 126125 0 0 0 0 0 0 0 0999 V2000 19.2700 2.4459 -0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8778 2.3325 -0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5378 0.8903 -1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2098 0.5708 -1.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0894 1.1329 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1184 0.5799 0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1289 -0.1143 1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8969 -0.4086 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6359 -1.8447 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6329 -2.4894 0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4952 -2.0233 1.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4106 -0.6617 1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 0.1876 1.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3757 -0.1936 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0569 -0.0418 1.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8836 1.3822 1.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5612 1.5651 2.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4513 1.2305 1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 1.3487 2.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0866 1.0045 1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4588 1.9151 0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 -0.2881 0.8163 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8055 -0.5617 -0.2038 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6385 -1.2742 -1.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 -0.3424 -1.6846 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1262 -1.6257 0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1106 -1.8799 -0.6645 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0202 -0.9032 -1.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 0.2106 -0.4375 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 -1.1101 -2.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 0.0604 -2.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7755 0.3968 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6899 -0.7299 -0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6981 -1.0656 -1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6359 -2.1720 -1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4193 -1.8171 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2125 -0.5580 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2211 -0.5853 -1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3078 -1.6007 -1.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2475 -1.5185 -2.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8648 -0.1712 -2.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6840 0.1737 -1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2640 1.5271 -1.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1472 2.0710 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7033 2.2863 1.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3177 1.1337 1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4585 0.1263 2.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0405 -1.0258 2.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0129 2.4365 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4257 1.5686 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3084 3.3698 0.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1556 2.9221 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9457 2.7699 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3159 0.3516 -1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6140 0.3836 -0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1483 -0.5341 -1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0922 0.9759 -2.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3927 2.2404 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1370 1.2199 -1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0196 0.7595 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2298 -0.4957 2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1379 -0.1243 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0719 0.2686 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4209 -2.4243 -0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6220 -3.6084 0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5795 -2.4232 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4154 -2.7003 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1843 -0.2531 2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4853 1.2330 1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3425 0.5268 -0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4382 -1.1672 0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 -0.3636 0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0891 -0.7383 2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8349 2.0360 0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6782 1.6383 2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5631 0.8406 3.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 2.6130 2.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 1.9922 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5109 0.1945 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 2.3946 2.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 0.6875 3.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 0.3327 -0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 -2.0813 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 -1.6247 -2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 0.5432 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 -1.3687 1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 -2.5836 0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6037 -2.0492 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 -1.2029 -3.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3465 0.9613 -2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6253 -0.0440 -3.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4117 1.2763 -1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1196 0.6513 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1308 -1.6078 -0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2504 -0.3421 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1471 -1.3805 -2.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2609 -0.1474 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0144 -3.0573 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3284 -2.4558 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1380 -2.6572 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7498 -1.6600 0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7832 -0.4168 0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5406 0.3093 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6776 0.4469 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7630 -0.7365 -2.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8881 -2.6417 -1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8735 -1.5275 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6655 -1.8170 -3.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0649 -2.2584 -2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1477 0.6306 -2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5775 -0.2476 -3.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4254 -0.5961 -0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8867 0.2177 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8333 1.5900 -2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3650 2.2279 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0959 1.4244 -0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5780 3.0625 -0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4779 2.8770 1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7944 2.9609 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1503 1.5965 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4006 0.6387 1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7789 -0.1819 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3331 0.6163 2.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0623 -1.4548 2.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9613 -0.6127 3.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8571 -1.7652 2.9055 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 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 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 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 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 23 82 1 6 24 83 1 0 24 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 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 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 48126 1 0 M END