HMDB0289295 RDKit 3D PC(DiMe(9,3)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 138138 0 0 0 0 0 0 0 0999 V2000 2.9323 -4.0314 -2.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6039 -5.1984 -2.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7406 -6.3653 -2.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -6.9708 -3.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5831 -6.4536 -5.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 -5.9994 -6.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3779 -6.0085 -6.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6491 -6.4382 -5.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5787 -5.3089 -5.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0798 -4.9164 -3.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9632 -5.3950 -2.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 -4.3669 -1.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5568 -4.4761 -0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2328 -5.6752 -0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2047 -5.7156 0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 -4.5394 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3136 -4.4183 1.9895 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -4.6629 1.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6657 -5.8030 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0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 41 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 26 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 47 39 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 46118 1 0 46119 1 0 46120 1 0 48121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 58130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 M CHG 2 53 -1 57 1 M END