HMDB0289307 RDKit 3D PC(DiMe(9,3)/18:3(9,11,15)-OH(13)) 132132 0 0 0 0 0 0 0 0999 V2000 -8.3511 1.5684 -0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1080 2.7696 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4491 4.0409 -0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9691 4.8859 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3110 6.1472 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1992 6.4388 -1.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4649 6.5056 -2.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3646 5.4338 -2.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2285 4.9917 -1.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4516 3.9673 -2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3134 3.5442 -2.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4769 2.5428 -2.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3237 1.3486 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6519 1.7827 -0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4652 0.6641 0.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7354 1.2272 1.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 0.1743 2.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2425 0.7480 3.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5755 1.2388 3.3701 C 0 0 0 0 0 0 0 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0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 43 35 2 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 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 6 23 87 1 0 23 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 40111 1 0 42112 1 0 42113 1 0 42114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 54124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M CHG 2 49 -1 53 1 M END