HMDB0055160 RDKit 3D TG(18:3(9Z,12Z,15Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 158157 0 0 0 0 0 0 0 0999 V2000 2.8973 1.0565 -7.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 2.1818 -6.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 3.2106 -7.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3732 3.5303 -7.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7282 2.8894 -6.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6773 2.2899 -7.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9775 0.9961 -7.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 0.0389 -6.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1135 -0.7497 -5.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3612 -0.7229 -5.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3751 0.1455 -6.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4495 -0.6373 -6.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6933 -0.5285 -6.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2254 0.3330 -5.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8278 -0.5075 -4.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4953 -0.5811 -3.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4045 0.2300 -2.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8121 1.1002 -1.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2179 0.9982 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1231 0.0612 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8735 0.8506 0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7073 -0.0027 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 -1.2333 1.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 0.5985 0.9504 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2388 0.1504 1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1486 -0.4415 2.4988 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3830 -1.7983 2.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -2.6616 1.6449 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 -3.9717 1.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 -4.4129 2.7525 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 -4.8533 0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5998 -5.9439 0.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2643 -6.8106 1.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2498 -7.9730 2.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8109 -8.7800 3.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9211 -8.0364 4.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -7.7666 4.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3437 -7.0228 6.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9449 -5.9066 6.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -5.1164 5.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2822 -3.7698 5.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0441 -3.2534 4.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3019 -4.0149 2.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -3.2911 2.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 -2.8156 0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0185 -2.9292 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 -3.7067 -1.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0635 0.3831 3.6285 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 0.9097 4.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1551 0.6234 3.9096 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 1.7652 5.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0766 2.3551 6.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 3.2814 5.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8773 4.4563 4.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6118 5.3518 3.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9771 4.7013 2.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7297 5.6775 1.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 6.8847 1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 6.5396 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8798 5.8917 -0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 5.5356 -1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2342 6.7573 -1.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4767 6.3436 -2.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 5.7070 -3.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5799 1.4511 -7.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 0.3302 -7.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5781 0.5407 -6.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 1.7319 -5.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 2.6894 -5.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4068 3.7445 -7.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1494 4.3200 -8.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4425 2.3056 -5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2963 3.7760 -6.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 2.9985 -8.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 0.7401 -8.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 0.4242 -6.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 -0.7419 -7.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4404 -1.4960 -5.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7086 -1.4380 -4.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0417 0.9877 -6.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 0.6621 -5.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1891 -1.2976 -7.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4696 -1.1433 -6.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1561 0.8542 -5.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 1.1476 -5.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6647 -1.1499 -4.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0340 -1.2571 -2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4982 -0.3070 -2.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0795 0.9669 -3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6213 1.8273 -1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5953 1.6890 0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9818 -0.6898 -0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4408 -0.5011 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5725 1.5035 -0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1426 1.4826 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 -0.6915 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 0.8918 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2998 -0.5862 2.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 -1.8487 3.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 -2.2397 3.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3701 -5.3276 0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 -4.2201 -0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6457 -5.6262 0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5149 -6.6247 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 -7.2356 1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 -6.2130 2.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 -8.6535 1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 -7.5903 2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2579 -9.0616 3.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 -9.7558 3.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5329 -8.6813 5.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3347 -7.1110 4.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -8.7495 5.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -7.2230 4.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7402 -7.4818 6.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 -5.4574 7.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1009 -5.6767 4.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7775 -4.9430 6.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 -3.1305 6.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 -2.2197 3.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 -5.0320 2.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3474 -4.0213 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3276 -3.1652 2.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1423 -2.3006 0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7568 -1.8669 -0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1345 -3.3204 0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4806 -4.4760 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2091 -3.0484 -2.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -4.1708 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3096 1.2154 6.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 2.6116 5.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 2.8277 7.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7867 1.5166 6.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 2.7161 4.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 3.7007 5.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 4.1547 4.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5858 5.0235 5.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 6.2671 3.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 5.7242 4.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 3.8409 2.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 4.2930 1.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6786 6.0038 2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0285 5.1858 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 7.5359 0.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 7.5193 2.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0415 7.4887 0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 5.8235 1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 6.5397 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 4.9311 -0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9204 5.0685 -2.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0273 4.7870 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6038 7.2123 -0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3463 7.4528 -2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0883 5.6323 -1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0785 7.2528 -2.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1132 4.6151 -3.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8313 6.0093 -4.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 6.0441 -4.2159 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 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 2 0 29 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 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 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 6 27 99 1 0 27100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 47129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 57142 1 0 57143 1 0 58144 1 0 58145 1 0 59146 1 0 59147 1 0 60148 1 0 60149 1 0 61150 1 0 61151 1 0 62152 1 0 62153 1 0 63154 1 0 63155 1 0 64156 1 0 64157 1 0 64158 1 0 M END