HMDB0289327 RDKit 3D PC(DiMe(9,5)/20:4(6E,8Z,11Z,14Z)-OH(5S)) 142142 0 0 0 0 0 0 0 0999 V2000 -2.2784 6.9557 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3517 6.2748 -1.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 6.6250 -1.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 6.1156 -3.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 6.4095 -4.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9394 5.9671 -4.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4153 5.1315 -5.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6293 4.4970 -6.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6814 3.0444 -6.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 2.2538 -6.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 2.6932 -6.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 2.5989 -4.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2991 2.2118 -3.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9896 1.7834 -3.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1283 1.4062 -2.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4348 0.9609 -1.5328 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3382 1.9770 -1.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2374 0.2103 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5388 -0.2343 0.3378 C 0 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3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 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 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 16 84 1 6 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