HMDB0289376 RDKit 3D PC(18:1(12Z)-2OH(9,10)/DiMe(9,5)) 143143 0 0 0 0 0 0 0 0999 V2000 -7.9113 -1.6860 2.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8483 -2.7230 2.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2178 -3.5790 1.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1314 -4.5902 1.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4974 -5.4684 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4063 -6.4509 -0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7147 -6.4961 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8983 -5.6407 -2.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 -4.7989 -2.8055 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3568 -3.9960 -1.7139 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 -5.5981 -3.2424 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9892 -6.4370 -2.2483 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -4.8209 -3.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 -3.8510 -2.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 -3.1281 -3.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -2.1708 -2.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2275 -1.3783 -3.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -0.4905 -4.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0014 0.3232 -4.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5549 1.2332 -3.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6171 1.8825 -4.0552 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 1.3935 -2.5205 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5319 2.2619 -1.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7378 2.2833 -0.2828 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5816 3.1133 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8646 2.5673 0.7685 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8322 3.4645 1.8248 P 0 0 0 0 0 5 0 0 0 0 0 0 5.6554 4.9290 1.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 3.1929 3.4117 O 0 0 0 0 0 1 0 0 0 0 0 0 7.4386 3.0539 1.6434 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7346 2.6557 0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 2.2981 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5276 1.2093 1.1704 N 0 0 0 0 0 4 0 0 0 0 0 0 8.4044 0.2939 1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6986 0.5336 0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7302 1.7704 2.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7023 0.9881 0.2655 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4724 0.3440 0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 0.9474 0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5256 -1.0142 1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.7760 1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -1.3565 1.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7128 -1.0621 3.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0122 0.1872 3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8157 1.4164 3.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0628 2.6470 3.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 3.8687 3.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 4.0024 2.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2791 3.6198 1.5395 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 3.8699 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4936 3.4673 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3959 2.2016 -1.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5281 2.1427 -2.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0158 2.8607 -3.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3472 4.2820 -3.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 4.4573 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5606 4.9894 -1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4147 4.5490 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 5.1668 1.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4200 -0.8147 3.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2836 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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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 50 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 48 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 6 10 76 1 0 11 77 1 6 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 6 25 96 1 0 25 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 34102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 36110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 57138 1 0 57139 1 0 57140 1 0 59141 1 0 59142 1 0 59143 1 0 M CHG 2 29 -1 33 1 M END