HMDB0289005 RDKit 3D PC(20:3(6,8,11)-OH(5)/DiMe(11,3)) 144144 0 0 0 0 0 0 0 0999 V2000 0.6393 2.8088 6.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4645 2.1909 5.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6942 2.0540 6.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 1.4539 5.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5194 0.0896 5.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -0.6399 4.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8483 -0.8779 5.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9106 -1.6462 4.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6405 -3.0303 4.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5892 -3.7846 4.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 -5.1873 4.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2864 -5.5062 3.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3529 -4.6557 2.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2318 -5.1213 2.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2656 -4.3184 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8385 -4.8410 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 -5.9030 -0.0259 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5943 -3.8271 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 -3.0766 -0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 -2.0865 -1.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 -1.3630 -2.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5864 -1.5205 -2.5717 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0967 -0.4990 -3.7291 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0969 0.1178 -4.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 0.9740 -5.6291 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0693 0.2459 -6.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2166 -0.7842 -7.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -1.6591 -8.4979 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1036 -1.1994 -8.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -1.5300 -9.7297 O 0 0 0 0 0 1 0 0 0 0 0 0 0.9056 -3.3053 -8.1005 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 -3.7901 -7.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1606 -5.2323 -7.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -5.7963 -6.7071 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.5145 -5.2549 -5.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -7.2447 -6.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5343 -5.3668 -7.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3969 2.0442 -5.2512 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9655 3.3330 -5.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 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0 0 0 0 0 0 0 0 0 0 4.4689 6.6585 3.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 53 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 59 51 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 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 24 94 1 0 24 95 1 0 25 96 1 6 26 97 1 0 26 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 35103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 37111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 58139 1 0 58140 1 0 58141 1 0 60142 1 0 60143 1 0 60144 1 0 M CHG 2 30 -1 34 1 M END