HMDB0052956 RDKit 3D TG(18:3(6Z,9Z,12Z)/14:1(9Z)/O-18:0) 154153 0 0 0 0 0 0 0 0999 V2000 -4.5092 -4.9435 3.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1593 -5.5544 2.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -6.4642 3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3557 -7.0778 3.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 -7.8772 2.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -7.6103 1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 -6.5231 1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0196 -5.6550 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 -4.5279 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7028 -3.6609 -1.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7047 -2.5351 -1.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -1.6492 -2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 -0.5644 -2.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2466 0.3887 -3.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8235 0.2532 -5.0431 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 1.4655 -3.8099 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 2.4303 -4.7489 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5436 3.8161 -4.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8921 4.0660 -4.4488 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5828 3.8403 -5.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0436 4.2076 -5.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8428 3.4847 -4.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 3.6975 -3.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5085 5.1578 -2.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1499 5.3370 -1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7506 4.8929 -0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5545 5.1427 0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2103 4.7532 1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8367 3.3295 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 2.3028 1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 2.4269 2.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7474 1.3411 3.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 1.4699 4.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6045 1.3605 5.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 1.4386 7.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 2.7375 7.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3509 2.7750 9.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2364 2.3229 -5.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3701 2.2838 -4.6981 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 3.0395 -3.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 4.1396 -3.5519 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3287 2.7162 -3.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2648 1.5758 -2.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8418 0.2692 -2.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 -0.1634 -3.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3579 -1.3978 -4.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9899 -2.5145 -4.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3277 -2.7991 -3.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2151 -4.0088 -3.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5103 -4.2150 -1.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 -3.4274 -0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3346 -2.0170 -0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7903 -1.1629 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8977 -1.5609 1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5328 -0.9208 1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 0.5710 1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 0.9768 2.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 0.3973 3.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1566 -4.9888 2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3805 -3.8715 3.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9827 -5.4278 3.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 -4.7456 2.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2007 -6.1254 1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5959 -5.8544 4.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4753 -7.2616 3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0523 -7.7307 4.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6519 -6.2510 3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 -8.7404 2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6621 -8.2849 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4779 -5.8261 1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -6.9351 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0874 -6.3113 -0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0171 -5.2813 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 -5.0236 -0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 -3.9326 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3099 -3.2518 -1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 -4.3178 -2.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -1.9579 -0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7263 -2.9546 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3968 -1.2250 -2.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4938 -2.3152 -3.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 -1.0747 -2.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 0.0028 -1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 2.1058 -5.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0985 4.2731 -3.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1372 4.4469 -5.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1745 4.4308 -6.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 2.7450 -5.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4913 3.9636 -6.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1619 5.3201 -5.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7868 2.3897 -4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 3.8434 -4.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 3.1703 -2.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4402 3.2487 -2.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8519 5.7798 -3.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5507 5.4984 -2.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3132 6.4141 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8903 4.7232 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 5.4634 -1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 3.8272 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 6.2665 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3956 4.7516 1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0762 5.0750 2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4568 5.3667 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8189 3.2005 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6589 3.0955 -0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2057 1.3147 1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7051 2.2010 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 2.2164 3.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2238 3.3904 3.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3089 0.3511 3.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7567 1.4201 2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 0.6403 5.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 2.4117 5.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 0.4265 5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9521 2.2043 5.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 0.5916 7.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6677 1.2768 7.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6344 3.5764 7.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3024 2.8514 7.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4108 2.5485 9.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0271 3.7577 9.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 2.0124 9.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 3.0984 -6.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2019 1.3547 -6.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1161 2.5497 -3.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6523 3.6080 -2.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6322 1.7738 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3014 1.3995 -1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 0.2702 -3.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9198 -0.5034 -2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9496 0.6722 -4.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8238 -0.2125 -3.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -1.3798 -5.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4981 -3.3756 -5.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7726 -1.9579 -3.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9712 -3.0693 -4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7916 -4.9036 -3.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2767 -5.3249 -1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1060 -3.9106 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5657 -3.7351 0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0372 -1.6032 -1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0865 -0.1075 -0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7892 -2.6153 1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3932 -1.1445 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9675 -1.1813 0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0121 -1.3233 1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5444 0.9606 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1632 1.0157 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 0.7396 2.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 2.0943 2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5601 0.9379 4.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2968 0.4180 3.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6406 -0.6752 3.9231 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 17 38 1 0 38 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 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 17 84 1 6 18 85 1 0 18 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 23 93 1 0 23 94 1 0 24 95 1 0 24 96 1 0 25 97 1 0 25 98 1 0 26 99 1 0 26100 1 0 27101 1 0 27102 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 37123 1 0 38124 1 0 38125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 53143 1 0 54144 1 0 54145 1 0 55146 1 0 55147 1 0 56148 1 0 56149 1 0 57150 1 0 57151 1 0 58152 1 0 58153 1 0 58154 1 0 M END