HMDB0113689 RDKit 3D PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) 136135 0 0 0 0 0 0 0 0999 V2000 4.8008 7.2211 -2.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4608 6.7381 -3.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 7.5472 -4.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8483 7.1292 -5.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 5.8293 -6.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4722 4.6742 -5.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 3.5820 -5.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3302 3.4545 -5.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3356 2.2665 -6.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5636 1.2303 -6.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3944 1.1931 -5.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 0.1413 -4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0217 -0.7514 -4.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 -0.8962 -4.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -2.3229 -5.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2031 -3.2423 -4.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 -2.9576 -3.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1842 -3.4861 -2.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3039 -4.2322 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0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 26 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 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 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 36101 1 0 36102 1 0 36103 1 0 40104 1 0 40105 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 47117 1 0 48118 1 0 48119 1 0 49120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 M END