HMDB0260638 RDKit 3D PE(14:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 123122 0 0 0 0 0 0 0 0999 V2000 18.0545 2.7107 3.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5826 3.0710 3.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5939 4.3189 2.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0755 4.4218 1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4364 3.3370 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9766 3.6179 0.4393 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3086 3.8240 1.6399 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4119 2.5063 -0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2545 1.8932 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7742 0.8120 -0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6699 0.1471 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7598 0.4662 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5351 -0.6883 1.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3514 -1.1906 1.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 -0.6489 0.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9612 -1.1804 1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7698 -0.5771 0.3093 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6690 0.7790 0.7135 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 -1.3650 0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4408 -1.1797 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3655 -0.1260 -1.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3481 0.9111 -0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.3215 -0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5582 -0.3237 -1.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -0.4658 -2.8504 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8709 -0.8475 -1.7741 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 -1.4625 -2.9350 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3854 -0.4654 -3.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3664 -0.2660 -2.4751 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3808 0.6385 -2.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3323 1.1996 -3.8957 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4231 0.9324 -1.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5736 0.1060 -0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8754 -1.3275 -0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1130 -1.7012 -1.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4039 -1.1647 -0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7894 -1.5392 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1070 -0.9451 0.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9868 0.5588 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2843 1.2324 1.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1596 2.7292 1.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1002 3.2817 2.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3734 2.9327 3.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7305 3.5415 3.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -2.7579 -2.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4817 -3.1905 -4.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3008 -4.6551 -3.9308 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4027 -5.8297 -3.6181 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0224 -4.9965 -5.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5356 -4.6489 -2.7839 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3507 -5.6498 -1.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4415 -5.6668 -0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1063 -6.7608 0.1321 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6155 2.7648 2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4413 3.5346 4.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1392 1.7489 4.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1748 3.2924 4.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1499 2.1950 2.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0779 5.1985 3.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1319 5.3965 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9367 3.2988 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5094 2.3286 1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8981 4.5783 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6775 3.2013 2.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9520 2.1454 -1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7550 2.2885 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4037 0.5189 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3993 -0.6728 -1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3200 1.2045 1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 0.9350 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3985 -1.1207 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1996 -2.0678 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1942 0.1877 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -2.0183 1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 -0.5459 -0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4027 1.2962 0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6575 -2.1390 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5582 -1.7776 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0942 -0.6167 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 0.3205 -1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 1.5141 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3031 1.6216 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 1.0986 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 -0.4779 0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5813 -1.5124 -3.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 0.5154 -3.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8484 -0.9444 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4477 1.0397 -2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2442 2.0090 -1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6012 0.1717 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3007 0.6227 0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9600 -1.7558 0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0286 -1.8546 -1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1791 -2.8299 -1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0656 -1.5038 -2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4572 -0.0789 -1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2108 -1.5962 -1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0189 -1.0730 1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8463 -2.6339 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3007 -1.2624 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9534 -1.2807 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7085 0.9781 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2196 0.9116 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1008 0.9671 0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5937 0.9225 2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1581 3.1280 1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9826 3.1424 0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1727 4.4009 2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1197 2.9124 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5473 3.3665 4.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4204 1.8384 3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5238 2.7835 3.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6909 3.8375 5.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9171 4.4519 3.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4315 -3.5747 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9611 -2.5790 -2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4087 -4.8500 -6.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 -6.6061 -2.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 -5.4298 -1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5626 -4.7131 -0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4419 -5.9204 -1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5615 -7.5020 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4547 -6.4000 0.8843 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 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 2 0 30 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 27 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 6 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 6 18 76 1 0 19 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 27 85 1 6 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 49117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 M END