HMDB0289524 RDKit 3D PC(20:3(6,8,11)-OH(5)/P-16:0) 136135 0 0 0 0 0 0 0 0999 V2000 -3.3546 -4.7990 -0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -5.0134 0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -4.5563 1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 -5.3601 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 -6.7984 1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 -7.2963 2.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3407 -7.2631 3.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2858 -6.0133 4.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 -5.0125 4.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7665 -3.7932 4.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6396 -2.7425 4.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 -1.5555 5.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5336 -1.6238 4.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4911 -0.5536 5.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7723 -0.7237 5.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 0.2169 5.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 -0.3416 6.3022 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3967 1.5630 5.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5953 2.4090 6.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5467 2.6560 5.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1412 3.3697 3.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0249 4.2640 4.6098 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9188 3.8735 2.8047 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6744 4.4234 1.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 4.0282 1.1326 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1124 2.5427 1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 2.2068 0.6632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 0.5253 0.7194 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1059 0.0060 2.0586 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3755 -0.2669 -0.5604 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.0423 0.1713 0.6081 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4025 0.0582 -0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8416 -0.2673 -0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7812 0.6927 -0.4619 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.1129 1.6905 -1.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 0.0079 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3216 1.3431 0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 4.5040 -0.2112 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9507 4.2348 -0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7582 4.6527 -0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4307 4.2755 -1.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0699 5.4355 -2.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1684 6.0875 -3.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 5.0921 -4.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 4.5737 -4.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5899 3.6233 -6.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8461 3.1246 -6.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5155 2.2839 -7.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7841 1.0059 -7.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -0.0329 -6.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7959 -1.3321 -6.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 -1.3110 -6.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5028 -0.9518 -4.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3282 -2.0092 -4.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -4.8276 -1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6768 -5.5022 -1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 -3.7191 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 -4.4403 0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7302 -6.0956 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6346 -4.6369 2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1587 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1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 40 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 0 24 89 1 0 25 90 1 1 26 91 1 0 26 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 35 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 37105 1 0 39106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M CHG 2 30 -1 34 1 M END