HMDB0053109 RDKit 3D TG(18:3(6Z,9Z,12Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -9.0428 -0.1274 6.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9955 -0.9248 5.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3127 -1.3687 4.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6627 -2.5969 4.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7657 -3.7785 4.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6469 -4.5466 3.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5053 -4.7597 2.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 -4.2646 3.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2914 -5.4250 3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1462 -5.6180 2.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6209 -4.6442 2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4511 -5.2501 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3503 -5.3241 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0849 -4.7895 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 -5.8157 0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 -6.1933 1.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 -5.6694 2.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 -5.0710 3.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 -3.8616 3.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 -2.8942 4.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -1.6146 3.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0844 -0.6070 3.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2187 -0.9711 3.9057 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8537 0.7274 3.3798 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6511 1.8070 3.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7741 2.2518 2.7761 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9486 1.2762 2.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 0.3705 1.6473 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 -0.6899 1.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3356 -0.9774 1.3909 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 -1.4027 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7261 -1.0462 -1.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6185 -1.6221 -2.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 -1.3704 -3.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4312 -1.7666 -4.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7239 -0.8775 -5.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1381 0.4710 -5.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 1.6613 -4.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2844 1.8310 -3.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 0.7606 -3.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5738 0.8745 -1.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3506 1.1735 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 1.4510 -0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6359 0.5192 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0421 1.0958 -0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0922 0.3930 0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4056 1.1408 0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 2.7894 1.4765 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5533 4.1151 1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8736 4.8480 2.2558 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3613 4.9134 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 6.2789 0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2955 6.1096 0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4856 5.8941 -0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 5.6335 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6152 5.7287 -1.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0239 5.4105 -1.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 4.5134 -2.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7752 3.7732 -3.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1508 4.1304 -4.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5158 3.3557 -5.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 1.8805 -5.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 1.5495 -6.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9237 0.8762 -5.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6932 0.2541 -4.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8678 -1.2707 -4.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6912 -2.0241 -3.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7242 -1.6242 -2.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1321 -1.9066 -2.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0425 0.3229 6.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8514 -0.8156 7.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3029 0.6815 6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2612 -1.7235 5.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6267 -0.2053 4.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0698 -0.5816 4.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6953 -2.8346 4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8864 -3.5870 5.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4141 -4.4438 5.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5732 -4.9449 3.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4920 -5.3390 1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8467 -3.5147 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2908 -3.6972 4.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6405 -6.1810 4.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5885 -6.5261 3.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6669 -4.2426 2.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2724 -3.7651 1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3596 -5.6853 0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 -5.7963 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7381 -4.0561 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 -4.1566 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7758 -6.2779 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 -6.9788 1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4774 -5.0366 2.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7779 -6.6069 3.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -5.7061 3.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7538 -3.5179 4.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 -3.2420 3.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3633 -2.5593 5.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 -1.7571 2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 -1.1909 3.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9495 1.8388 4.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9148 2.7148 3.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 3.1399 3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8059 1.9157 2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2599 0.8586 3.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2999 -1.2940 0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 -2.4655 0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8373 0.0341 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6686 -1.5555 -1.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 -1.3785 -1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6869 -2.7484 -2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5872 -2.0106 -4.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9385 -0.3018 -3.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0619 -2.7711 -4.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 -1.1962 -5.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2694 0.5284 -5.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0039 0.5517 -6.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 2.6240 -5.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 2.8746 -3.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0702 1.0160 -3.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8666 -0.2423 -3.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5236 0.6838 -1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8723 1.2142 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1549 1.2784 -1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0382 2.4664 -0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 0.5790 1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5646 -0.4864 -0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2823 1.0646 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9959 2.1797 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2053 -0.6328 0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9218 0.4314 1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2811 0.5000 0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 2.0715 1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4119 1.5267 -0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7886 4.3967 -0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3688 5.1079 -0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 6.6100 1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8896 7.0324 -0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 7.0709 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2409 5.3305 1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 5.1728 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 6.8762 -1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1704 4.6462 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 6.3990 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 5.3072 -2.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 6.8677 -1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 5.9724 -0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6548 4.3313 -2.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9863 2.6705 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6995 3.8626 -3.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1199 5.2222 -5.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7704 3.8089 -6.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 1.4544 -4.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 1.4981 -6.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 1.9593 -7.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9385 0.7073 -5.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5084 0.5774 -3.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6856 0.4392 -3.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 -1.6664 -5.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9017 -1.4827 -4.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 -1.8398 -2.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8016 -3.1167 -3.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 -0.5461 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -2.2253 -1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7337 -2.4609 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6604 -0.9359 -2.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1461 -2.4879 -3.4354 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 2 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 1 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 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 1 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 64156 1 0 65157 1 0 65158 1 0 66159 1 0 66160 1 0 67161 1 0 67162 1 0 68163 1 0 68164 1 0 69165 1 0 69166 1 0 69167 1 0 M END