HMDB0288789 RDKit 3D PC(18:3(9,11,15)-OH(13)/24:1(15Z)) 153152 0 0 0 0 0 0 0 0999 V2000 3.2241 7.6403 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 7.5326 -0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 6.2414 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3705 6.2895 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 5.1568 0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5492 3.7995 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 2.8992 1.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 3.5654 1.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1831 2.5772 2.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9394 2.4248 3.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6832 1.5058 4.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 1.3932 4.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3963 2.4127 4.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 2.2734 5.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9146 3.2228 4.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 3.0799 3.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4034 1.9783 3.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 0.5738 3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1788 -0.3183 2.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2611 0.1542 2.3854 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0438 -1.6756 2.9249 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0548 -2.5951 2.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6181 -2.7007 1.3131 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9411 -3.5166 1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6937 -2.9331 2.3774 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1503 -3.6563 2.6974 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.9208 -5.1338 3.0281 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7634 -2.9747 4.1279 O 0 0 0 0 0 1 0 0 0 0 0 0 -9.2835 -3.5714 1.4565 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3330 -4.7864 0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3108 -4.8972 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1240 -3.9907 -1.3863 N 0 0 0 0 0 4 0 0 0 0 0 0 -10.2437 -4.6314 -2.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1999 -3.0033 -1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8687 -3.2911 -1.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 -3.1725 0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3186 -2.6782 -0.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7454 -1.5645 -1.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4001 -3.5578 -1.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9224 -3.1499 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52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 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 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 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 22 91 1 0 22 92 1 0 23 93 1 6 24 94 1 0 24 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 33100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 35108 1 0 39109 1 0 39110 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 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 61153 1 0 M CHG 2 28 -1 32 1 M END