HMDB0285432 RDKit 3D PE(P-18:1(11Z)/18:1(12Z)-2OH(9,10)) 130129 0 0 0 0 0 0 0 0999 V2000 -14.0483 4.3310 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3587 3.1438 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3722 2.9757 -1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9720 2.6721 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1822 3.6118 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7882 3.1027 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2279 2.7659 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8210 2.8195 2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9430 1.4023 2.8429 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.4730 1.7118 4.1224 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6155 0.7035 2.9198 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7907 -0.3325 3.9274 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4141 -0.0693 1.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0724 -0.7940 1.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 0.1861 1.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5801 -0.1903 1.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0169 -0.8508 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4567 -2.1844 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2568 -3.3230 0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7757 -3.5238 1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3717 -4.3838 1.9708 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8474 -2.7599 0.5328 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4699 -2.7919 0.6443 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0582 -1.6027 1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4182 -1.3937 1.4742 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2031 -1.0733 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5181 -0.9545 0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 -0.5948 -0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8882 0.7835 -0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6059 1.3140 -1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 2.6332 -1.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3963 2.8983 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3665 2.5313 0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6117 3.0444 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8927 2.5548 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0644 1.1141 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0568 0.4973 1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1090 1.0786 2.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 0.8812 1.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9667 1.4079 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3536 0.8220 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9462 1.5220 -2.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4418 1.3270 -2.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2922 -3.1342 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 -4.3767 -1.1041 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8316 -4.8234 -2.4398 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4932 -3.8849 -3.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -4.7077 -2.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4278 -6.3861 -2.9814 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -6.4261 -3.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3894 -7.8074 -3.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -8.8432 -2.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4161 5.0722 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7032 4.0516 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0308 4.8931 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4774 2.2096 0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4068 3.2904 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3777 3.8766 -2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7512 2.1595 -2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9261 1.6190 -0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4161 2.5935 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1075 4.5774 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5810 3.8582 0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2233 3.0166 -1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1452 2.4477 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7792 3.3167 2.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0936 3.3961 2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6896 0.8710 2.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2941 1.1835 4.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8473 1.3393 3.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7604 -0.5288 4.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7412 0.3808 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1517 -0.9594 1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0574 -1.4075 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1533 -1.4327 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1006 0.7668 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2382 1.0029 0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9768 0.7698 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2167 -0.7816 2.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -0.1773 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -0.8383 0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4344 -2.2491 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7474 -2.4803 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5589 -4.2522 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8348 -3.2700 1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2844 -3.6637 1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -1.5587 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3702 -0.6532 0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7491 -0.8906 -0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 -1.1190 1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9799 -1.3478 -1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 -0.4706 -1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0157 1.4468 -0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4727 0.6733 0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8215 1.3747 -2.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 0.5386 -2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4485 3.0416 -2.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3949 3.3693 -1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3267 2.4580 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5483 4.0400 -0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4937 2.9262 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3672 1.3998 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5166 2.6222 2.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5533 4.1286 1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9760 3.0059 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7064 3.0670 1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3396 0.5096 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0735 -0.5956 1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0003 2.1681 2.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0242 0.5324 3.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7912 -0.2353 1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2212 1.3055 2.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0877 1.3658 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7124 2.5209 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6036 -0.2558 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2871 1.0242 -0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4845 1.1037 -2.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7211 2.6200 -1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9632 2.0147 -1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6892 0.3107 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8343 1.5539 -3.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3728 -3.2072 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 -2.4254 -1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8068 -3.8085 -2.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4649 -6.2703 -2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3147 -5.6783 -3.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 -7.8578 -3.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9175 -8.0650 -4.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1834 -9.3832 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -8.5741 -1.6824 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 1 0 9 11 1 0 11 12 1 0 11 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 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 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 2 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 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 6 10 69 1 0 11 70 1 1 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 1 24 87 1 0 24 88 1 0 26 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 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 48124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 M END