HMDB0045112 RDKit 3D TG(18:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -5.9748 4.0723 1.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9833 3.6099 2.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6995 3.5558 4.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8504 3.1154 5.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2786 1.6926 5.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 1.2667 6.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7247 0.2158 6.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8631 -0.6575 6.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4334 -2.0658 6.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6563 -2.7282 5.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3461 -2.2208 4.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4701 -2.3217 2.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8651 -3.0718 1.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1106 -3.8236 1.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0711 -3.5201 0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5524 -2.1519 0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5998 -1.0716 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9220 -1.2906 -1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1437 -2.3821 -1.7334 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0581 -0.4250 -1.7939 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5052 -0.7868 -3.0014 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0236 -0.7335 -3.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4098 0.4771 -2.8614 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3532 1.1925 -1.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9377 0.6772 -0.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 2.4921 -1.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 2.6941 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 1.5250 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.6560 1.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1443 0.4891 1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7813 0.5457 3.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6884 -0.6940 3.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3771 -0.6624 4.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -0.6823 4.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 -0.7401 3.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5205 0.4334 3.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8252 0.2979 3.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5947 -0.9316 3.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5609 -1.1935 2.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6011 -0.1325 2.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4878 -0.5359 1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 0.4308 1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0132 0.0367 -4.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3387 -0.5479 -5.3021 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4766 -0.1916 -6.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2660 0.7421 -6.8985 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7069 -0.9015 -7.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5984 -1.6511 -6.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7385 -2.4811 -7.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6545 -3.1190 -7.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1813 -3.9550 -5.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -4.5588 -5.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 -3.5145 -4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9774 -4.2107 -3.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -3.2585 -3.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7244 -2.5216 -4.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 -1.5793 -3.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0935 -0.5244 -2.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1438 0.4485 -2.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4087 1.4908 -1.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3676 2.5061 -0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5529 3.5177 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7626 2.8797 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4515 5.0171 1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4041 4.0888 0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6830 3.2159 1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 2.6136 2.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0941 4.2919 2.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1399 4.5294 4.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4911 2.7611 3.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5154 3.0266 6.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0294 3.8392 5.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1102 1.1247 4.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5924 1.8236 4.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5868 1.8986 6.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 -0.0956 7.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 -0.7258 7.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6696 -0.3066 5.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8863 -2.5931 7.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 -3.7722 5.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4004 -1.0908 4.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3778 -2.5038 3.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5247 -1.7897 2.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 -3.1097 0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6609 -3.8914 2.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8579 -4.9474 1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9809 -4.1818 0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6964 -4.0118 -0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1100 -1.8707 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3839 -2.1129 -0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9215 -0.8629 0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1603 -0.0870 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8329 -1.8274 -3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7885 -0.9804 -4.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6007 -1.5977 -2.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3172 3.3408 -1.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7579 2.5929 -2.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 3.6578 0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1551 2.6763 0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7956 0.5470 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5107 1.5838 -0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 1.6107 2.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 2.5925 1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8551 0.3146 1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4818 -0.4274 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 1.4627 3.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0674 0.5784 4.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3222 -0.7200 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0364 -1.6069 3.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7652 -0.6213 5.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1041 -0.6544 5.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2636 -1.6641 3.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1201 -0.8709 2.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0598 1.4134 3.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4059 1.2407 3.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2877 -0.7620 4.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0777 -1.8493 4.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0445 -1.3568 1.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0870 -2.1417 2.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1668 0.8568 2.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2407 -0.1178 3.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9594 -1.5321 1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9049 -0.6575 0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6808 0.6798 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5434 1.3580 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6075 -0.0095 1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8065 1.0973 -4.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1030 -0.1213 -4.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3644 -0.2248 -8.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3828 -1.6609 -8.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1216 -2.3411 -6.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9826 -0.8797 -6.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2455 -1.9376 -8.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3477 -3.3517 -8.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -3.7920 -7.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 -2.2855 -6.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8476 -3.4012 -5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8241 -4.7522 -6.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5262 -5.2773 -5.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 -5.1641 -4.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -2.8449 -3.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -2.9641 -5.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -4.6560 -2.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 -5.0088 -4.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.5795 -2.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6874 -3.8088 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1761 -3.2947 -4.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0112 -1.9121 -4.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3005 -1.1232 -4.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4529 -2.2029 -3.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 0.1051 -3.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 -0.9695 -1.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8351 -0.0844 -1.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6996 0.8935 -3.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 0.9925 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 2.0371 -2.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0136 1.9738 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 3.0011 -1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 3.9935 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1576 4.3611 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 2.4505 0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3416 2.0826 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.6534 1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 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 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 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 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 6 22 94 1 0 22 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 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 42126 1 0 43127 1 0 43128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 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 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 63163 1 0 M END