HMDB0292686 RDKit 3D CDP-DG(18:2(10E,12Z)+=O(9)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 152153 0 0 0 0 0 0 0 0999 V2000 7.1600 -7.8373 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5779 -6.3934 2.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3621 -6.1805 0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5624 -5.2843 0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7742 -4.3713 1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1545 -2.9955 0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3797 -2.0375 0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 -2.3876 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1866 -1.4815 1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2643 -0.6326 0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8575 -0.4963 -0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4078 -0.8025 -0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4376 0.0997 -1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 1.4767 -1.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2128 1.9130 -3.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9318 2.9423 -3.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6353 3.8020 -2.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0777 3.8939 -2.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 3.5076 -1.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 2.9226 -0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3413 1.5485 -0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 0.7355 0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0542 -0.2197 0.8189 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2894 0.8031 1.6911 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2638 -0.0584 2.7935 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4070 0.5422 4.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6612 1.1766 4.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0447 1.8346 5.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1765 1.8223 6.3401 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3298 2.4994 5.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3633 3.9702 5.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9178 4.3319 4.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0148 5.8192 3.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6145 6.3969 2.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8173 7.8929 2.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4671 8.6713 1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 8.5615 1.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7229 8.9192 -0.0442 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0017 8.0887 2.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7367 8.0370 1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6908 7.5734 2.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5886 7.4959 2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 7.8867 0.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7719 6.6695 0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 7.0261 -1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 5.7882 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9776 4.6680 -1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1013 -1.0622 2.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2882 -1.8364 3.9098 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 -3.0610 4.0832 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3635 -3.6227 5.4998 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 -2.4783 4.0089 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4511 -4.3491 3.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0884 -4.8200 2.1628 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5078 -6.1002 2.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 -3.5759 2.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4901 -4.8626 0.4979 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -4.6659 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -4.6691 -1.7479 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5084 -4.4562 -2.5074 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1588 -4.8436 -3.8030 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2921 -4.8961 -4.6766 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3205 -4.2390 -5.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4155 -4.3067 -6.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -5.0441 -6.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6847 -5.1323 -7.1912 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 -5.6884 -5.1616 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 -5.6116 -4.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4541 -6.2528 -3.2775 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4476 -6.1421 -3.6113 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4960 -6.3565 -4.6157 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2182 -5.9790 -2.2467 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5957 -5.8869 -2.4328 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 -7.9531 2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1925 -7.9094 3.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8603 -8.5060 2.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2096 -5.7018 2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7172 -6.3889 2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9373 -6.8488 0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 -5.2333 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -4.6527 1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1190 -4.5197 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 -2.7398 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7287 -1.0418 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 -2.1905 -0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 -3.3971 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -1.4930 2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7529 0.0206 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3591 -1.2264 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1849 0.4771 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -1.8268 -0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4864 -0.1489 -1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 1.7606 -1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 2.1042 -0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3026 1.2880 -3.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0173 3.1811 -4.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2586 4.8677 -2.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 3.7723 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3438 4.3328 -3.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 3.6226 -2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7035 2.9724 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3356 3.4998 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9739 1.0588 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4256 1.7672 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1601 -0.7462 2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5685 1.1918 4.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4078 -0.3034 4.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1589 2.0014 4.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6393 2.2847 6.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 4.4584 6.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3528 4.4093 5.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8467 4.0109 3.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5140 3.8138 3.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3295 6.2685 4.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0748 6.0996 4.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3487 5.9793 1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6207 6.0857 2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 8.2047 3.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8823 8.0230 2.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6596 9.7585 1.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1119 8.4239 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1984 7.7788 3.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 8.3523 0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 7.2564 3.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 7.1142 2.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 8.6864 0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 8.2631 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5911 6.3329 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9806 5.9176 0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5826 7.3908 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1311 7.7940 -1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4859 6.0053 -2.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 5.4083 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4769 3.8592 -2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6698 4.2433 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 4.9921 -2.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1158 -1.6557 1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1623 -0.5017 2.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9942 -2.9528 4.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 -2.8158 1.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2351 -3.7811 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3454 -5.5410 -0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3416 -3.8541 -1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 -4.1178 -4.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -3.6518 -6.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4443 -3.7805 -7.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2911 -5.9561 -7.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9112 -4.3911 -7.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 -7.0131 -3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 -5.5550 -5.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -6.8004 -1.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -5.5830 -3.3524 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 0 37 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 25 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 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 63 64 2 0 64 65 1 0 65 66 1 0 65 67 2 0 67 68 1 0 68 69 2 0 61 70 1 0 70 71 1 0 70 72 1 0 72 73 1 0 72 59 1 0 68 62 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 6 26106 1 0 26107 1 0 30108 1 0 30109 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 39122 1 0 40123 1 0 41124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 52139 1 0 56140 1 0 58141 1 0 58142 1 0 59143 1 1 61144 1 6 63145 1 0 64146 1 0 66147 1 0 66148 1 0 70149 1 1 71150 1 0 72151 1 1 73152 1 0 M END