HMDB0051060 RDKit 3D TG(20:3(5Z,8Z,11Z)/18:1(9Z)/18:3(9Z,12Z,15Z)) 165164 0 0 0 0 0 0 0 0999 V2000 1.0526 -3.4858 7.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -3.5005 6.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 -2.4508 5.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 -2.7159 4.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0661 -4.0641 3.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 -4.2902 2.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 -4.4701 1.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9257 -4.4719 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 -5.7589 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -5.8337 -1.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0177 -4.6961 -2.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 -4.9045 -3.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -3.8461 -4.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4102 -2.4478 -3.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3538 -1.4851 -4.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -0.0685 -4.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0503 0.5457 -3.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 2.0035 -3.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 2.7406 -3.9921 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3653 2.6069 -2.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 3.8961 -1.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1432 4.6807 -1.5626 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5449 6.0385 -0.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6804 5.7780 0.5404 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 6.8061 1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 7.9544 0.7631 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 6.9187 2.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2028 6.8769 3.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8635 5.5509 3.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2265 4.8771 4.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3546 3.7587 5.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 2.6926 4.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2749 2.7285 2.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 2.6452 1.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6908 2.5164 2.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 3.6653 1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5173 3.5272 0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 2.2833 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0154 2.4368 -1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.1989 -1.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5574 1.3832 -3.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0741 0.1561 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1513 0.3251 -5.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8433 0.6219 -6.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7925 -0.4299 -6.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9974 4.2591 -0.8885 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 4.2682 -1.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1634 4.6581 -2.7609 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5604 3.9496 -0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1166 2.5942 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6021 1.5398 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 1.1521 -0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 0.0140 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6611 -1.2402 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2777 -2.2032 1.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 -3.4892 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7468 -3.9693 2.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -3.3583 3.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5733 -3.2875 3.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4731 -2.6495 2.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2839 -1.2294 2.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3984 -0.7488 1.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5860 -1.5192 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4453 -1.6143 -0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8284 -2.4264 -1.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 -2.4752 8.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1856 -4.2254 8.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 -3.6385 6.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 -3.1829 7.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4971 -4.4922 6.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -1.4140 5.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7278 -1.8295 3.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 -4.0149 3.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1506 -4.8213 4.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 -4.3070 3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2456 -4.6241 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 -4.3063 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7996 -3.6100 0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 -6.6594 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2063 -6.8723 -1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0386 -3.7398 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9325 -4.7173 -2.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -5.1093 -2.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 -5.8625 -3.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 -3.8736 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1891 -4.1801 -4.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 -2.2153 -2.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6214 -2.4640 -3.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3551 -1.5609 -5.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3632 -1.8300 -5.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 0.5627 -5.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9305 0.0791 -3.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0399 0.0942 -2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 0.4849 -3.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0925 4.5264 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9582 3.9554 -0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1739 5.0308 -2.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 6.8233 -1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5536 6.2654 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 6.1614 3.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5726 7.8959 3.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0536 7.3393 4.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8895 7.5709 3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9173 5.8011 4.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9984 4.9730 2.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 5.5588 5.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7441 3.5569 6.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 1.7686 4.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6442 2.2316 4.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7582 2.7909 2.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9163 2.6429 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0059 1.5686 1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 2.3569 3.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2226 4.6972 2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 4.4622 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5495 1.3527 0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1378 2.2601 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7025 3.3114 -1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9863 2.6759 -1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9633 0.2937 -1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 1.0430 -1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 1.5880 -3.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1881 2.2313 -3.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0912 -0.1145 -3.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4221 -0.7239 -3.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8525 1.1446 -5.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5479 -0.6192 -6.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4183 1.5712 -5.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9348 0.8319 -7.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8334 -1.1906 -6.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7664 -0.8608 -5.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 0.0641 -6.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7002 4.4023 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2956 4.6153 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0599 2.2562 -2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2764 2.6563 -0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3128 0.6639 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7327 1.8719 0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8106 0.9627 -1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5724 2.0017 0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0548 0.4265 1.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7968 -0.1944 0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 -1.0906 0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3192 -1.6897 -0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1487 -2.3359 1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 -1.6970 2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7603 -4.0593 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 -4.9654 2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7254 -4.0827 4.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5734 -2.4206 3.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7963 -2.8168 4.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9622 -4.3527 4.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5513 -2.7819 3.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4659 -3.2334 1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3215 -1.0282 2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4202 -0.5948 3.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2322 0.3488 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3791 -0.7649 2.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9241 -2.5577 0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4333 -1.0467 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6652 -2.2373 -0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0963 -0.6503 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3953 -3.2995 -1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8436 -2.7013 -2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3646 -1.7188 -2.5485 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 1 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 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 22 46 1 0 46 47 1 0 47 48 2 0 47 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 2 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 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 0 21 96 1 0 22 97 1 6 23 98 1 0 23 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 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 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END