HMDB0285060 RDKit 3D PE(DiMe(9,3)/20:3(6,8,11)-OH(5)) 129129 0 0 0 0 0 0 0 0999 V2000 14.0157 3.5005 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5519 3.2186 -1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1050 1.9546 -1.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8070 0.7163 -1.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2630 -0.4812 -1.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8316 -1.7802 -1.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7580 -2.2502 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4251 -2.4208 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6300 -1.2109 0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2174 -0.8949 1.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 0.3230 2.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0914 0.0347 2.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6501 -1.1830 2.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2939 -1.3353 3.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7527 -2.5024 3.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 -2.4897 4.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 -1.3795 4.9096 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4425 -2.6658 2.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 -1.5710 1.9677 C 0 0 0 0 0 0 0 0 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0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 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 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 1 25 90 1 0 25 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 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 42114 1 0 44115 1 0 44116 1 0 44117 1 0 46118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 51123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 M END