HMDB0283802 RDKit 3D PE(22:0/18:3(10,12,15)-OH(9)) 140139 0 0 0 0 0 0 0 0999 V2000 -20.2514 3.9956 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3377 2.7783 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9348 3.2005 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0120 3.0121 1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6214 3.4686 1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6257 2.3456 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8234 2.0842 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8342 1.0035 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0913 0.8309 -0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0657 -0.2022 -1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2150 0.0488 -2.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3038 -0.5015 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5886 0.6780 0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6043 1.3335 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4527 0.5559 -0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5216 0.0113 0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9421 1.0857 1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9629 0.5725 2.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 -0.0077 1.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7456 -0.2511 2.4166 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6558 -0.3156 0.3719 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -0.8424 -0.1669 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0138 -0.0859 -1.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8097 -0.5318 -1.8741 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4095 -0.4855 -1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 -0.0019 -0.0932 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6673 -0.9678 -1.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8139 -0.5067 -1.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1818 -0.9070 -1.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 -0.3657 -2.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 -0.6634 -3.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9387 -0.1316 -3.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 -0.4139 -1.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6490 -1.8767 -1.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1593 -2.0240 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4527 -1.2627 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5686 -1.6898 -0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7908 -0.8149 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2502 -0.9346 1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4572 -0.0285 1.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5925 -0.3994 0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9117 0.2176 0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1399 1.6638 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5103 2.5483 1.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8382 3.9983 1.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3142 4.2189 1.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5533 5.7204 1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 -2.3260 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0454 -3.0471 0.5854 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3343 -4.6734 0.2316 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7961 -4.8473 -1.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -5.6507 0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5701 -5.2246 1.2282 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -5.5275 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8325 -6.0212 1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0188 -6.3275 0.5937 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.6595 4.8688 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.4321 4.1627 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.1936 3.8709 0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5626 2.2499 1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5180 2.0494 -0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5677 3.7290 -0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3112 2.5003 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3279 4.1995 1.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4375 3.9927 0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5339 1.7125 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9343 2.7342 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7229 0.3734 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2496 1.5080 -1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6155 -1.1404 -1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6994 -0.1512 -2.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0704 -0.8250 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6580 -1.3999 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1702 0.3920 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3868 1.4400 1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1816 2.2060 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1159 1.8796 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7908 1.2671 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6556 -0.2849 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7543 -0.5541 -0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0552 -0.7318 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7158 1.7408 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 1.8034 0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6989 1.3397 3.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4939 -0.2214 2.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6941 -0.8625 0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7571 -0.1174 -2.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9953 1.0019 -1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -2.0879 -1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7305 -0.5681 -2.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 0.5839 -0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6743 -0.9625 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9006 -0.4935 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1666 -2.0122 -1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5957 -0.8116 -3.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.7334 -2.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7216 -1.7884 -3.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5943 -0.3089 -4.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7719 -0.3674 -3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9117 1.0145 -3.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5119 0.0690 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9997 0.0989 -0.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -2.3760 -1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3224 -2.3711 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4086 -1.5605 0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2379 -3.0845 0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7697 -1.5369 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2660 -0.1855 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3603 -1.5448 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8161 -2.7595 -0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5748 -1.1003 -1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4490 0.2396 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -0.5871 1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4685 -1.9773 1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0235 0.9853 1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6802 -0.0535 2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7503 -1.5259 0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2742 -0.3404 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5935 -0.3009 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4137 -0.1147 1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9651 2.0405 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2678 1.8286 0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0676 2.3659 2.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4598 2.4105 1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2757 4.6840 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4905 4.2491 0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7519 4.0240 2.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8959 3.6387 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3822 6.2371 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6126 5.7972 0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8455 6.0066 0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3175 -2.4474 -1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6684 -2.7158 -0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6827 -6.1029 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0436 -4.6120 -0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4657 -6.3678 -0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4997 -6.9335 1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1547 -5.2793 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8468 -6.5143 1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2290 -5.4618 0.0282 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 44 45 1 0 45 46 1 0 46 47 1 0 22 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 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 1 23 87 1 0 23 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 52134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 M END