HMDB0294167 RDKit 3D CDP-DG(i-20:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 164165 0 0 0 0 0 0 0 0999 V2000 11.1229 -0.6958 2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2217 -0.1678 3.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 1.2789 3.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9886 1.9165 3.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6873 1.1510 3.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7488 1.5498 4.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5694 2.0282 4.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0496 2.2221 2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8289 1.3651 2.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6481 1.8484 2.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 3.2699 2.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 3.5613 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6354 4.0531 0.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 4.3397 1.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4353 4.8067 1.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9905 5.0724 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0438 6.0062 0.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4595 3.8770 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0269 4.4218 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6485 4.1942 -2.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 3.4073 -3.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 2.5184 -2.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 1.2956 -2.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3254 0.9507 -2.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1742 0.5330 -1.6307 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4435 -0.6993 -0.9203 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1610 -0.5821 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0507 -1.5698 1.3328 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 -2.8618 1.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9221 -3.4454 0.6197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2102 -3.6633 2.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6701 -4.0601 2.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1051 -4.8413 3.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5603 -5.2274 3.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8834 -6.1176 2.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3607 -6.4778 2.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2526 -5.2810 2.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7029 -5.6254 2.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1782 -6.5595 1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9484 -6.0912 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6109 -4.7641 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4089 -4.2996 -1.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9324 -4.1865 -2.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8101 -3.7185 -3.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3932 -3.6072 -4.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 -2.6431 -3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 -2.5106 -3.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0543 -2.0289 -4.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4533 -3.8227 -3.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4121 -1.6851 -1.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 -1.3430 -1.6447 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 -2.2716 -2.5218 P 0 0 0 0 0 5 0 0 0 0 0 0 4.0615 -2.4262 -1.6707 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 -3.8291 -2.7613 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2262 -1.5218 -3.9837 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7258 -0.7943 -3.9016 P 0 0 0 0 0 5 0 0 0 0 0 0 5.4094 -1.0177 -2.5651 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7686 -1.4827 -5.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6021 0.8646 -4.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2084 1.5712 -3.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 3.0602 -3.3752 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7475 3.8026 -2.2944 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5017 4.9808 -2.3360 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3490 5.7613 -1.1405 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 6.1400 -0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7749 6.8857 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 7.2500 1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5249 8.0063 2.2956 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 6.8560 0.8188 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3058 6.1223 -0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4905 5.7663 -0.5642 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8606 4.4684 -2.6188 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7357 5.4024 -3.1573 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5464 3.4923 -3.7673 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4627 4.2336 -4.9618 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0296 -0.0348 2.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5806 -0.7378 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4248 -1.7230 3.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8571 -0.3476 4.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3365 -0.7619 3.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0524 1.8554 3.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0058 2.9933 3.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3196 1.4557 2.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8278 0.0739 3.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0486 1.4437 5.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9238 2.3031 5.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 1.8650 2.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8789 3.3017 2.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 0.2971 2.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7882 1.1561 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 3.8878 2.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7671 3.6356 3.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4802 3.3522 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 4.2518 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0765 4.1720 2.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0808 5.0194 2.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2005 5.5652 -0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8665 5.4547 0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 3.2414 -0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3284 3.3711 0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9213 5.1439 -1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2982 4.7747 -3.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9992 4.0805 -4.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 2.7629 -4.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0478 2.1992 -3.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 3.0258 -2.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4891 -0.9113 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2907 -0.4342 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1688 0.4052 0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 -3.0510 3.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3934 -4.5871 2.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 -4.7260 1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3308 -3.1869 2.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -5.8063 3.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9085 -4.2849 4.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8747 -5.7001 4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1436 -4.2606 3.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -7.0688 2.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5999 -5.6130 1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5861 -6.9949 3.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5606 -7.1446 1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9719 -4.7263 1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 -4.5771 3.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3501 -4.7110 2.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9278 -6.0529 3.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2865 -6.7020 1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7014 -7.5716 1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8437 -5.9788 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3155 -6.8505 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1207 -4.0076 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6664 -4.8068 -0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9014 -3.3172 -1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9071 -5.0334 -2.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4785 -5.1972 -2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4187 -3.5066 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3593 -4.4902 -4.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3840 -2.7607 -3.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9369 -4.6191 -3.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3696 -3.3309 -5.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0976 -1.6414 -3.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -3.0856 -2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -1.7587 -2.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6791 -1.1199 -5.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9961 -1.7101 -5.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2627 -2.7823 -5.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 -4.6029 -3.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -3.7050 -3.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -4.0741 -2.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1573 -1.4516 -2.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 -2.7152 -1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -3.9338 -3.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7311 -0.9453 -5.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9446 1.4140 -2.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2397 1.1813 -2.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 3.2149 -4.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 5.5605 -3.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 5.8811 -1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7624 7.1910 0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 7.7735 2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1227 8.8174 2.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3093 3.8293 -1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6674 5.1641 -3.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 2.6761 -3.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5089 4.3104 -5.2667 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 26 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 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 65 66 2 0 66 67 1 0 67 68 1 0 67 69 2 0 69 70 1 0 70 71 2 0 63 72 1 0 72 73 1 0 72 74 1 0 74 75 1 0 74 61 1 0 70 64 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 15 96 1 0 16 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 20102 1 0 21103 1 0 21104 1 0 22105 1 0 22106 1 0 26107 1 1 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 48143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 49148 1 0 50149 1 0 50150 1 0 54151 1 0 58152 1 0 60153 1 0 60154 1 0 61155 1 6 63156 1 6 65157 1 0 66158 1 0 68159 1 0 68160 1 0 72161 1 1 73162 1 0 74163 1 6 75164 1 0 M END