HMDB0289835 RDKit 3D PC(P-18:1(9Z)/20:3(6,8,11)-OH(5)) 140139 0 0 0 0 0 0 0 0999 V2000 -1.6955 0.0714 -7.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 -1.1918 -7.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -2.3212 -6.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 -3.5808 -7.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -4.6929 -6.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9645 -5.9336 -6.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5862 -7.1480 -5.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8199 -7.0277 -4.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2381 -6.8113 -3.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7148 -5.7754 -3.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9374 -4.6702 -2.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2152 -4.6241 -1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4526 -3.5223 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7609 -2.1444 -1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 -1.7008 -0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4995 -1.7605 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5544 -0.9159 1.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8962 0.1036 2.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9031 0.7852 2.8468 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6524 2.0483 3.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6296 3.0435 2.0783 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8509 2.4819 0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8928 3.3761 -0.1621 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1078 2.6329 -1.4521 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9759 1.4788 -1.8789 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9318 3.7280 -2.7513 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5922 2.0330 -1.0787 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 0.9092 -1.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 0.3425 -1.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 1.2792 -1.8568 N 0 0 0 0 0 4 0 0 0 0 0 0 1.8307 2.5933 -1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 0.7601 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2355 1.3878 -3.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2498 4.3053 2.5158 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0031 5.4607 2.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1691 5.3987 2.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 6.7518 3.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9305 6.5153 3.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1711 6.2135 2.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3047 5.9083 2.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 5.6543 1.0969 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 4.5630 3.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8295 4.2486 4.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7214 2.9050 4.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2576 2.5042 5.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 1.1263 6.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3718 0.3971 6.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5823 -0.7476 5.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7763 -1.5847 5.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5374 -1.8052 4.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -0.5807 4.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -0.9200 2.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 -1.8200 3.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 -1.2204 3.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2057 -2.1937 4.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2377 -1.6050 5.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2232 0.5233 -8.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9084 -0.1049 -6.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.8399 -6.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5575 -1.0754 -7.4550 H 0 0 0 0 0 0 0 0 0 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13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 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 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 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 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 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 18 89 1 0 20 90 1 0 20 91 1 0 21 92 1 6 22 93 1 0 22 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 31 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 33107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 41115 1 0 42116 1 0 43117 1 0 44118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 56140 1 0 M CHG 2 26 -1 30 1 M END