HMDB0288581 RDKit 3D PC(18:3(9,11,15)-OH(13)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -5.6494 -6.2714 6.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5501 -7.0425 6.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -6.7592 6.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1885 -6.2213 6.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 -5.8152 4.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 -4.3857 4.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -3.4836 4.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -3.7506 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6652 -3.4930 2.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0839 -3.0545 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6536 -2.6414 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7168 -1.2283 0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0748 -0.2558 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1773 -0.4505 2.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 0.2288 3.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 1.1124 4.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 1.4892 3.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5175 2.9967 3.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4193 3.8111 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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 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 25 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 6 26 92 1 0 26 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 38109 1 0 39110 1 0 40111 1 0 41112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 57129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M CHG 2 52 -1 56 1 M END