HMDB0055720 RDKit 3D TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/O-18:0) 162161 0 0 0 0 0 0 0 0999 V2000 2.8458 -3.8479 -0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -4.8647 -0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 -6.0461 -1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1944 -7.2498 -0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -7.7598 0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8852 -6.8921 1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 -7.0295 2.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4185 -8.0514 3.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 -7.6879 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -8.0895 3.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3868 -9.0553 2.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -8.5348 1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5725 -8.3047 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5552 -8.4770 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1223 -7.3261 -1.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 -6.0803 -1.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4195 -5.4390 -0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5797 -4.8174 -1.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 -3.7852 -2.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4802 -2.6038 -1.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3784 -2.7075 -1.2102 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9977 -1.2935 -1.9658 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2158 -0.2523 -1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7212 1.1181 -1.6460 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6596 1.5443 -3.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 1.3002 -3.6248 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4199 1.6857 -4.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2931 1.5355 -5.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9993 2.1866 -5.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8673 1.8737 -4.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 2.7191 -4.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 4.1709 -4.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6066 4.5998 -3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 4.3541 -2.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 4.7478 -0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0452 4.5668 -0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1506 4.7450 1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 5.9735 1.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 6.4960 1.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4023 7.7435 2.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0153 8.3120 2.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 7.3304 3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3294 8.0289 3.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7703 8.4353 2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0156 1.3792 -1.1029 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3088 2.2864 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2799 2.9139 0.3334 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6188 2.6057 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9469 2.2323 1.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 0.8127 2.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7657 0.0008 2.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6046 0.4852 2.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 0.6244 4.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 1.0771 5.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7184 0.0115 5.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 0.0546 4.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 1.2871 3.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2223 1.0347 2.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 -0.0899 2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5412 0.1704 2.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 1.4057 2.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 1.1449 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.6001 -0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -4.3549 -1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3834 -2.9422 -1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -4.9565 0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8307 -4.3007 -0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4954 -5.8671 -2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0968 -8.0231 -1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0591 -8.6721 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -8.2759 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6383 -6.0368 1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -6.2473 3.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 -8.9284 2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -8.5741 3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1887 -6.9324 4.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9489 -7.6985 3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7584 -10.0255 2.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -9.3261 1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4612 -8.3116 2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5885 -7.9673 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6262 -8.9269 -0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8492 -9.3165 -1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -7.5788 -2.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -5.4213 -2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -6.0064 0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 -4.5454 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3735 -4.4606 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0605 -5.6565 -1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5275 -4.2646 -3.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -3.4583 -2.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2037 -0.3205 -1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0767 -0.4903 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0361 1.8121 -1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3972 1.0634 -3.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8819 2.6453 -3.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7649 2.7680 -4.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 1.1171 -5.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1022 0.4340 -6.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6615 1.9110 -6.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 3.2976 -5.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 1.9255 -6.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4889 2.1623 -3.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1943 0.8359 -4.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 2.3341 -4.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4243 2.4788 -5.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 4.6283 -5.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8727 4.7049 -4.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 4.0111 -2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 5.6786 -3.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2818 3.3356 -2.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 5.1147 -2.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 4.0377 -0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 5.7722 -1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1820 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3937 3.5130 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2278 4.4469 1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5737 3.8670 1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5575 6.7935 1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 5.8058 2.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 5.7917 2.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 6.8692 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7623 7.5341 3.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0713 8.5158 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 9.2040 3.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6577 8.5853 1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8738 6.4260 2.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 7.0908 4.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0919 7.3653 3.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2441 8.9369 4.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 9.5051 1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 7.7857 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 8.3576 2.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6918 3.7505 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4475 2.3278 -0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1316 2.7046 2.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8654 2.7730 2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3693 0.7346 3.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7676 0.3049 1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -1.0185 2.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4856 -0.2318 1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1957 1.4582 2.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8143 -0.3106 2.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3339 -0.3008 4.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7777 1.3854 4.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 2.0829 4.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 1.0908 6.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 -0.9571 5.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0615 -0.8650 4.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9424 1.4927 4.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 2.1766 3.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7287 0.7795 1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 1.9286 1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 -0.1769 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 -1.0668 2.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5325 0.2823 3.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 -0.6803 2.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 2.3203 2.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2034 1.4875 2.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2722 1.6664 0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6109 0.0461 0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4874 1.3910 0.1765 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 1 0 19 20 1 0 20 21 2 0 20 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 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 24 45 1 0 45 46 1 0 46 47 2 0 46 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 2 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 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 44133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 54147 1 0 55148 1 0 56149 1 0 57150 1 0 57151 1 0 58152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 62162 1 0 M END