HMDB0048252 RDKit 3D TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/O-18:0) 162161 0 0 0 0 0 0 0 0999 V2000 -5.4343 2.5761 2.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8648 2.4103 0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4041 2.0348 0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 1.8637 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5158 0.8293 -1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9803 -0.2783 -1.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 -0.6648 -1.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8036 -0.8960 -2.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5224 0.1382 -3.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3825 0.8621 -4.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5381 1.6648 -4.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 2.3913 -5.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0634 3.3146 -6.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 4.3184 -5.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 5.3688 -5.1331 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4623 4.1682 -4.4961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 5.0961 -3.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2418 4.7345 -2.8350 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9607 3.8099 -1.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 3.9356 -0.6768 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6115 3.0534 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5511 3.2658 1.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2827 2.3535 2.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4533 0.9611 2.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3389 -0.1673 3.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1193 -0.5051 3.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 0.4485 4.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.0827 5.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7767 -0.2677 4.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 -0.8075 5.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1243 -0.9266 4.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4178 -1.4744 4.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4310 -1.5310 3.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9669 -2.3943 2.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0283 -2.4109 1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5342 -3.2620 0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2523 -4.6825 0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4720 -5.3815 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 4.5138 -3.5952 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4951 5.2693 -3.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4733 6.2361 -2.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7009 5.1056 -4.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6573 4.0707 -3.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1525 4.2564 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 3.4283 -1.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 2.1096 -1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8363 1.4858 -2.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 0.4217 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4841 -0.3516 -2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 -0.0522 -1.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8165 -0.8320 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2924 -2.1872 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6877 -2.1714 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4574 -2.4802 0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4493 -2.9047 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2982 -1.9773 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0809 -2.3768 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6819 -3.7503 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 -4.2242 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 -5.6392 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4148 -5.7598 1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 -4.9172 1.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2345 1.8217 2.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8662 3.5730 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6473 2.3658 2.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4254 1.5913 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0549 3.3278 0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2998 1.0727 1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8639 2.8604 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7485 1.7152 -0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9339 2.8772 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6096 0.9469 -1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 -0.9534 -2.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5137 -1.6206 -1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 0.0690 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -1.8843 -3.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -1.2655 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3619 -0.2408 -4.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1489 0.9265 -3.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6962 0.2114 -5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6754 1.5957 -5.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3021 2.4067 -3.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4478 1.0355 -4.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4552 1.6510 -6.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 3.0445 -5.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 3.8730 -7.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2869 2.7326 -6.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 6.1303 -3.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 5.1614 -2.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 5.7279 -2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 4.0856 -1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9336 2.7516 -1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 2.0400 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5744 3.1659 0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5919 3.1443 1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 4.3347 1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0224 2.6620 3.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 2.6490 3.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5028 0.8954 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8104 0.7699 1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1794 -0.0946 4.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7296 -1.0850 2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -1.4675 4.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 -0.8707 3.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 0.4908 5.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3811 1.4570 4.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9179 0.6049 6.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3898 -1.0800 6.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0015 0.6020 4.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5022 -1.1017 3.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8366 -1.7773 5.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -0.0843 6.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2205 0.0483 3.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7058 -1.6650 3.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3067 -2.5205 5.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8082 -0.8219 5.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5293 -0.4837 3.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4144 -1.8519 4.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8512 -3.4370 2.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 -2.0000 2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9516 -2.8584 1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1940 -1.3742 1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5566 -2.8014 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -3.1811 -0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3885 -4.7707 1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9252 -5.2139 -0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2150 -5.4861 0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8978 -4.8757 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2706 -6.4332 1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 4.8686 -5.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2398 6.0860 -4.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4154 3.0823 -4.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6113 4.2977 -4.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6706 5.2298 -2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5227 3.7419 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 1.4150 -0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 2.2840 -0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 1.9318 -3.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6555 0.0570 -4.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 -1.4799 -3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0823 -0.2988 -3.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9874 0.9212 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 -0.5018 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6001 -2.5865 -1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2188 -2.8463 -0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3772 -1.8677 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 -2.4133 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 -3.0392 -1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1541 -3.9368 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4564 -0.9333 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2714 -1.6190 0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0892 -3.7618 1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4447 -4.5124 0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 -3.5895 -0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -4.2471 -1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0764 -6.3489 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -6.0158 -0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7485 -6.8230 1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2982 -5.5744 1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4971 -3.8580 1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 -5.3615 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 -4.8726 2.4326 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 2 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 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 1 0 26 27 1 0 27 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 18 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 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 17 88 1 0 17 89 1 0 18 90 1 1 19 91 1 0 19 92 1 0 21 93 1 0 21 94 1 0 22 95 1 0 22 96 1 0 23 97 1 0 23 98 1 0 24 99 1 0 24100 1 0 25101 1 0 25102 1 0 26103 1 0 26104 1 0 27105 1 0 27106 1 0 28107 1 0 28108 1 0 29109 1 0 29110 1 0 30111 1 0 30112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 35121 1 0 35122 1 0 36123 1 0 36124 1 0 37125 1 0 37126 1 0 38127 1 0 38128 1 0 38129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 54147 1 0 55148 1 0 55149 1 0 56150 1 0 57151 1 0 58152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 62162 1 0 M END