HMDB0289341 RDKit 3D PC(DiMe(9,5)/20:4(5E,8Z,12Z,14Z)-OH(11R)) 142142 0 0 0 0 0 0 0 0999 V2000 6.7238 -10.1622 -2.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5615 -9.7115 -1.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5025 -9.0632 -2.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3139 -8.6006 -1.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7411 -7.5751 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 -7.0940 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 -5.8448 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8952 -4.8105 -0.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 -3.5403 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3715 -3.0642 0.2834 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6325 -2.1645 -0.5142 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9231 -2.2835 1.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7569 -3.1285 2.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9992 -2.9226 2.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8879 -1.8752 2.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 -0.7395 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1596 -0.5871 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 0.5379 -0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1305 1.3399 -0.8710 C 0 0 0 0 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6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 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 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 39 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 24 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 37 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 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 1 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 6 25 93 1 0 25 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 44121 1 0 46122 1 0 46123 1 0 46124 1 0 48125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 M CHG 2 53 -1 57 1 M END