HMDB0110432 RDKit 3D TG(19:0/a-17:0/15:0)[rac] 164163 0 0 0 0 0 0 0 0999 V2000 6.8429 -2.9617 4.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0436 -2.5516 2.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0448 -1.6134 2.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 -1.9209 2.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0634 -3.0734 1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5221 -4.4041 1.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8742 -5.5424 1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3918 -5.5529 1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 -5.7050 2.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3927 -5.6907 2.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 -5.8027 4.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 -5.7727 4.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -5.8156 5.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7836 -4.6178 6.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2735 -3.3500 5.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8105 -2.1070 6.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -2.0283 6.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2685 -1.9468 5.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2304 -0.7054 4.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4311 0.3583 4.3974 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 -0.7198 3.7408 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0519 0.3132 3.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4356 0.8424 1.8360 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2430 2.0711 1.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5946 1.6104 1.2047 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5858 2.4542 0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2771 3.6526 0.5873 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9911 2.0780 0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3525 0.6773 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6039 -0.3586 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0164 -1.7535 0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3830 -2.8512 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8877 -2.7975 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 -3.9325 -0.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -3.8902 -0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1575 -2.6270 -1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5528 -2.4249 -2.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0763 -3.5176 -3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5023 -3.3379 -5.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0781 -2.1328 -5.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5792 -0.8189 -5.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1075 1.2898 2.0785 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9321 0.9595 1.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 0.2534 0.2345 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 1.3622 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 2.7987 1.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2309 3.7547 0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7952 3.8833 0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6716 4.9438 -0.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 5.1497 -1.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9603 6.1845 -2.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 5.8862 -3.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 7.0556 -4.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 6.8247 -5.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2752 7.9979 -6.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3746 9.2829 -6.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 9.1250 -6.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4499 10.4380 -5.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4768 8.7442 -7.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9715 8.5811 -7.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5124 -3.8603 4.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8322 -3.2845 4.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1749 -2.1630 4.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3871 -3.3837 2.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0189 -1.9042 2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3612 -1.3551 1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2054 -0.6272 2.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1653 -1.9577 3.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1028 -0.9648 1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 -2.8911 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9465 -2.9675 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4017 -4.5454 3.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5975 -4.5221 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2586 -6.4817 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1607 -5.4981 0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0087 -6.4388 0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9052 -4.6692 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2234 -4.8771 3.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 -6.6962 3.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0285 -4.7048 2.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0057 -6.4426 2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 -6.7976 4.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -5.0381 4.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0373 -6.7213 3.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0454 -4.9562 3.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9488 -6.7719 5.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3466 -5.7281 5.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -4.6328 6.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 -4.6882 7.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0273 -3.2735 4.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 -3.3483 5.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1938 -1.2251 5.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -2.1391 7.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 -1.0970 6.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1389 -2.8697 7.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -2.7723 4.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -1.9781 5.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0882 -0.0551 2.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2556 1.1672 3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 0.1840 0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 2.8636 2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9206 2.4819 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6202 2.8190 1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2587 2.2256 -0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3290 0.4171 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4386 0.5518 0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5096 -0.2615 0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8576 -0.2580 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1233 -1.8799 0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6827 -1.8556 1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6949 -3.8157 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7003 -2.8930 -1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5465 -1.8621 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -2.8424 0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5164 -3.9351 -1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5715 -4.8812 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3731 -4.0048 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -4.7514 -1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0384 -2.7548 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 -1.7255 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6413 -2.3306 -2.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -1.5064 -3.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0413 -3.6417 -3.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4738 -4.4914 -3.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -4.2345 -5.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 -3.4252 -5.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0504 -2.0630 -5.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -2.2692 -6.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7842 -0.1562 -4.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9169 -0.2423 -6.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 -0.8805 -4.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0136 0.9336 0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 0.8426 2.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6948 2.8895 1.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 3.1171 2.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 3.5768 -0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 4.7921 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1544 4.2452 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3467 2.9352 -0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1442 5.8511 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 4.5903 -1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2803 4.2056 -1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2669 5.5654 -0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 7.1712 -1.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0533 6.3510 -2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7113 5.5751 -3.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 5.0271 -4.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2496 8.0136 -4.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7033 7.1448 -4.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 5.9490 -6.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0538 6.6141 -5.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3728 8.2279 -6.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0406 7.8017 -7.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1989 10.0381 -7.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0962 9.6645 -5.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0709 8.3092 -5.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9073 11.0038 -6.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6546 11.0532 -5.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2341 10.2788 -4.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0626 7.7391 -7.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 9.5019 -8.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5522 9.2594 -8.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3295 8.7963 -6.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3163 7.5482 -7.6335 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 1 0 10 11 1 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 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 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 23 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 22 98 1 0 22 99 1 0 23100 1 6 24101 1 0 24102 1 0 28103 1 0 28104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 1 0 41131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 52147 1 0 53148 1 0 53149 1 0 54150 1 0 54151 1 0 55152 1 0 55153 1 0 56154 1 0 56155 1 0 57156 1 0 58157 1 0 58158 1 0 58159 1 0 59160 1 0 59161 1 0 60162 1 0 60163 1 0 60164 1 0 M END