HMDB0299737 RDKit 3D DG(i-18:0/0:0/18:3(9,11,15)-OH(13)) 115114 0 0 0 0 0 0 0 0999 V2000 -15.2580 0.5310 2.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8506 0.8463 1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7537 1.0619 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6803 0.2715 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6067 0.4661 -1.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7246 -0.7514 -2.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5146 -1.8178 -2.5355 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0114 -1.1243 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3658 -0.2750 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6679 -0.6795 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0393 0.2243 1.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3208 -0.1467 3.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8368 0.2049 2.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2039 -0.5278 1.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7481 -0.1943 1.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5364 1.2597 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0901 1.6258 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 0.8542 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1403 1.2622 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8236 1.5325 -1.4248 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 1.3329 0.7784 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0687 1.6683 0.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9444 0.6324 0.0597 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2606 1.1901 -0.0744 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 -0.0118 -1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5442 -1.0072 -1.5488 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 -2.1192 -0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2684 -2.3463 0.2545 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8672 -3.1324 -1.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 -2.6745 -0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4953 -1.3935 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 -0.8250 -1.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9654 0.4332 -2.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1802 1.2507 -2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4322 0.7747 -2.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0623 -0.4608 -2.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3982 -0.7372 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3702 0.3736 -2.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7218 0.6371 -1.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3460 -0.5701 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6982 -0.2489 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4987 0.1339 1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9393 0.4318 2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7441 0.8117 3.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6193 -0.7949 3.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1722 -0.5596 2.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9437 0.9022 3.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2972 1.0639 2.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4331 1.8016 1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5003 0.0108 0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0504 1.8613 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4332 -0.5187 -1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0474 1.3732 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0831 0.6409 -2.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9976 -0.5858 -2.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2706 -1.4326 -3.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9948 -2.1730 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3674 0.7744 -0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6635 -1.7049 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0539 1.2479 1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7267 0.4556 3.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3870 -1.2309 3.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7000 1.2820 2.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3573 -0.1466 3.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2817 -1.6402 1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6968 -0.2959 0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1446 -0.5247 2.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4104 -0.8008 0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8841 1.8737 2.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1601 1.5801 0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9871 2.7090 1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5442 1.3402 2.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1902 1.0406 -0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5779 -0.2389 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 2.6173 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4696 1.8400 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1432 -0.1968 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5029 1.5321 0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 0.7264 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -0.5755 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -4.1189 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7134 -3.3124 -2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -3.4584 -1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2898 -2.5085 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3402 -1.5395 -2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8262 -0.6142 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9102 -0.5970 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6562 -1.5804 -1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0568 1.0461 -1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6968 0.2325 -3.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8902 2.2119 -2.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 1.7147 -1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1794 1.6433 -2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2454 0.7257 -4.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 -0.5655 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4295 -1.3221 -2.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2186 -0.8644 -4.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7978 -1.6734 -2.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3426 0.0354 -3.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0959 1.2864 -3.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3639 1.5362 -1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7641 0.8433 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6032 -1.3983 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2830 -0.8199 -1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2128 -1.1247 1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4035 0.6316 0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0170 1.0500 1.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8278 -0.7351 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6568 1.2732 2.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8923 0.1153 3.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4246 1.8506 3.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0051 0.7469 4.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6577 -0.8474 3.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0315 -1.7046 3.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6643 -0.6908 4.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 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 43 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 13 64 1 0 14 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 16 70 1 0 17 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 22 75 1 0 22 76 1 0 23 77 1 1 24 78 1 0 25 79 1 0 25 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 44110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 45115 1 0 M END