HMDB0289306 RDKit 3D PC(18:3(10,12,15)-OH(9)/DiMe(9,3)) 132132 0 0 0 0 0 0 0 0999 V2000 -2.2573 2.9960 -6.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4791 2.7335 -6.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3393 1.7086 -6.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6446 0.5389 -6.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4814 -0.4211 -6.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8567 -1.7254 -5.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6392 -2.0966 -6.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1161 -3.4154 -5.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 -3.8380 -6.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4118 -5.1743 -5.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -5.7482 -4.7772 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 -5.1697 -5.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5594 -4.3108 -4.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -2.8443 -4.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 -2.1471 -3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8079 -0.6460 -3.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3372 0.0347 -2.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 1.5476 -2.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7346 2.2182 -1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9471 1.5189 -0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9484 3.5739 -1.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 4.3076 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 4.4399 1.0378 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8747 5.3479 2.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 5.6331 3.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4276 6.6318 4.2965 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1453 5.9730 5.6367 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0844 6.9437 4.2522 O 0 0 0 0 0 1 0 0 0 0 0 0 0.5922 8.1203 4.2959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0678 8.3041 3.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 9.5899 2.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0506 10.7782 3.0703 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.6894 11.6623 3.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 11.5108 1.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 10.5182 3.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8944 3.2190 1.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4434 2.8075 1.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 3.6909 0.8836 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0059 1.5487 1.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0882 0.6165 2.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 -0.6397 3.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3725 -1.4577 1.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0484 -2.6872 2.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 -3.6061 3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 -4.1533 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7873 -5.0671 3.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9499 -5.6336 2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2096 -5.2724 2.7683 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 -5.9774 1.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 -5.8539 1.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0994 -7.0168 2.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 -6.9074 4.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1889 -6.8801 1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6121 -7.8778 0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 -6.6451 1.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -7.3414 1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5251 3.7590 -5.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 2.1030 -5.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4851 3.4387 -6.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 2.4356 -7.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0888 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0 0 0 0 0 0 0 7.1956 -6.9199 2.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8554 -7.6009 4.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3659 -5.8610 4.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5245 -7.1502 4.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 -8.9028 0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9229 -7.9187 -0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6135 -7.5996 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3107 -7.0536 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 -7.2055 2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 -8.4593 1.2834 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 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 49 53 2 0 53 54 1 0 53 55 1 0 55 56 1 0 55 47 2 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 0 22 87 1 0 23 88 1 6 24 89 1 0 24 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 33 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 35103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 54127 1 0 54128 1 0 54129 1 0 56130 1 0 56131 1 0 56132 1 0 M CHG 2 28 -1 32 1 M END