HMDB0289231 RDKit 3D PC(DiMe(9,3)/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 136136 0 0 0 0 0 0 0 0999 V2000 7.3586 -4.0099 4.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0479 -4.3667 4.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2276 -4.1925 2.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0343 -4.4954 1.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8669 -3.5883 2.3241 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2676 -2.2569 2.1458 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6754 -3.8877 1.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5488 -3.2524 1.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3636 -2.2191 2.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2673 -2.6870 3.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3647 -2.9554 4.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5866 -2.8485 5.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 -1.8860 6.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 -0.7951 7.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1552 -0.3273 6.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1512 0.9513 5.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 1.8197 5.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 1.8551 6.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 2.0017 5.0185 C 0 0 0 0 0 0 0 0 0 0 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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 39 43 2 0 43 44 1 0 43 45 1 0 45 46 1 0 24 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 45 37 2 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 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 1 6 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 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 19 87 1 0 20 88 1 0 20 89 1 0 24 90 1 6 25 91 1 0 25 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 42115 1 0 44116 1 0 44117 1 0 44118 1 0 46119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 56128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 M CHG 2 51 -1 55 1 M END