HMDB0286297 RDKit 3D PC(18:0/18:3(9,11,15)-OH(13)) 137136 0 0 0 0 0 0 0 0999 V2000 -2.7778 5.3964 -3.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9051 4.8079 -3.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 5.6127 -1.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0569 5.0501 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2965 5.7250 0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 5.0236 1.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5464 5.0953 0.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0375 3.6404 1.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9674 3.1252 2.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 1.7495 3.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5105 1.1676 4.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1221 -0.2613 4.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8701 -0.3310 5.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3811 -1.7577 5.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3471 -2.6684 6.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8756 -4.0861 6.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 -4.7203 4.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8052 -4.7052 4.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5227 -5.2718 2.7454 C 0 0 0 0 0 0 0 0 0 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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 1 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 22 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 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 22 85 1 6 23 86 1 0 23 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M CHG 2 48 -1 52 1 M END