HMDB0046104 RDKit 3D TG(20:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -2.3896 5.4870 -2.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3816 4.3116 -2.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5017 3.5969 -4.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 2.3274 -4.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 1.5200 -3.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 0.9897 -3.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 -0.2874 -3.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1033 -1.3521 -3.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -2.2365 -4.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -3.4987 -4.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5211 -4.2616 -3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2356 -4.8099 -3.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 -4.6840 -3.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1239 -4.0068 -1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -2.9003 -2.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 -2.3004 -0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 -1.6855 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9941 -0.5287 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0181 -0.2540 -1.4429 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2454 0.2728 0.6413 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 1.3647 0.1291 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1542 2.6174 0.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5139 2.5896 0.3558 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4517 3.5392 0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 4.5419 1.3148 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 3.4249 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 2.1621 -0.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4225 2.0208 -1.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8063 3.0850 -2.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0263 2.8296 -4.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 3.8302 -5.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 5.2621 -4.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 5.5277 -4.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0155 6.4091 -5.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4976 7.2559 -6.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3313 8.7283 -5.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1586 8.9497 -4.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 10.3513 -4.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9484 1.2697 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 -0.0012 0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6442 -0.5336 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 0.1454 1.1494 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -1.9225 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1004 -2.5616 0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -4.0019 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9632 -4.8144 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6357 -5.1599 1.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5301 -4.0691 2.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9671 -4.5252 4.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5391 -4.9282 4.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 -5.3451 5.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5707 -5.6144 4.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4242 -6.0205 6.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4516 -5.0450 7.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 -3.6632 6.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2503 -3.5234 6.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6263 -2.0862 6.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7224 -1.3927 5.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1195 0.0522 4.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 0.1988 4.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8669 1.6608 4.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6781 6.2522 -2.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 5.9515 -3.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 5.1594 -2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3888 4.8786 -2.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3153 3.7463 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8679 4.1874 -5.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3146 1.8645 -5.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4491 2.1651 -2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4273 0.8161 -2.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6086 1.7510 -3.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 -0.5855 -3.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 -1.8333 -2.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1082 -0.9437 -3.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6419 -1.7691 -5.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1779 -4.1119 -5.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -5.1322 -3.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5987 -3.7387 -2.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 -5.3944 -4.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 -5.1666 -3.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 -4.7421 -1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -3.5806 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6628 -2.1292 -2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0056 -3.2829 -2.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3029 -3.0674 -0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4498 -1.5097 -1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 -1.3257 1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 -2.4630 0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 1.4329 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 3.5120 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 2.6381 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5233 3.4300 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1478 4.3153 -0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 1.9536 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7808 1.3218 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 2.0832 -1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7371 1.0526 -2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 4.1035 -2.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 3.0734 -3.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9443 2.7806 -3.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3112 1.8297 -4.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 3.5394 -6.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4774 3.7352 -5.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7189 5.5518 -3.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 5.8882 -5.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1432 4.9853 -3.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0716 6.5487 -4.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 7.1557 -7.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5174 7.1343 -6.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 9.3329 -6.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2832 8.9804 -5.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2059 8.6728 -4.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7256 8.2786 -3.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3345 10.4286 -3.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 11.0639 -4.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0707 10.6075 -3.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9939 1.4025 1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5806 2.0281 0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -2.4801 0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9706 -1.8186 -1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3495 -2.3730 1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -2.0741 -0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 -3.9136 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0492 -4.4628 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0149 -4.4375 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1123 -5.8255 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -5.9370 2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -5.7759 1.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 -3.6831 3.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -3.2124 2.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5836 -5.3314 4.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0031 -3.6224 4.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4653 -5.8162 3.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9579 -4.1194 3.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3949 -6.2982 5.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0118 -4.5962 6.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 -4.7358 4.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5452 -6.4513 4.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1452 -7.0316 6.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4959 -6.1198 5.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0409 -5.4383 8.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3976 -5.0131 7.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8981 -3.0736 7.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1074 -3.1277 6.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3918 -4.1253 5.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0315 -3.9098 7.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -1.5084 7.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6411 -2.1166 5.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6849 -1.3943 5.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 -1.8690 4.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 0.4503 4.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 0.6413 5.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2193 -0.2407 5.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6452 -0.3205 3.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4629 1.9878 4.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 2.2657 3.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4356 1.7413 3.1586 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 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 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 21 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 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 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 6 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 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 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END