HMDB0285890 RDKit 3D PC(20:3(6,8,11)-OH(5)/15:0) 134133 0 0 0 0 0 0 0 0999 V2000 -4.7776 -2.9661 -6.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0662 -3.8231 -5.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9052 -3.7236 -4.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3814 -4.4967 -3.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2877 -5.9377 -3.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7662 -6.8574 -2.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 -7.0486 -1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5834 -5.9101 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3197 -5.2714 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0024 -5.2031 1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -4.5783 1.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0696 -3.4277 2.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 -3.3718 3.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0925 -2.1965 4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8098 -2.0062 5.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -0.7430 6.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.3202 5.6198 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 -0.3990 7.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4834 -0.2290 8.3015 C 0 0 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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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 0 24 89 1 0 25 90 1 6 26 91 1 0 26 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 35 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 37105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M CHG 2 30 -1 34 1 M END