HMDB0286579 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/18:2(9Z,12Z)) 135134 0 0 0 0 0 0 0 0999 V2000 -5.1861 7.6981 -0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 7.2452 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5275 6.0223 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 6.4141 1.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7172 5.1934 2.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3058 4.8328 2.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8328 3.6844 2.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7437 2.6071 1.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5441 1.3949 2.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 0.2116 2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9158 -0.1063 0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8425 -1.2037 0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4534 -1.4098 -1.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3055 -2.4414 -1.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0867 -2.7768 -3.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2634 -1.7359 -4.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3831 -0.5593 -4.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9237 -0.8552 -4.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6171 -1.9818 -5.0265 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0535 0.0422 -4.2727 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 -0.1319 -4.4331 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2350 -0.0992 -3.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 -1.0843 -2.2238 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1106 -2.4550 -2.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -2.7679 -3.6339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8796 -3.5200 -1.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8384 -3.0405 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 -4.2032 0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -3.7130 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 -4.0817 3.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -5.0316 2.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 -4.6823 3.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8203 -5.2484 3.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 -6.3150 4.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1725 -6.2188 6.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7734 -5.9909 7.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 -5.7116 7.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4079 -4.5222 8.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9376 -3.3652 8.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2324 -2.9330 7.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7921 -1.7181 6.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 -1.2151 5.7474 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4090 -0.0289 6.0802 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 -0.8841 4.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2272 -0.4029 3.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9373 1.0140 -5.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.9474 -6.5037 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7511 2.2264 -7.5178 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7986 3.4549 -6.5993 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 1.9471 -8.3022 O 0 0 0 0 0 1 0 0 0 0 0 0 0.4636 2.5009 -8.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7263 2.7004 -7.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8697 2.9590 -8.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 4.1368 -9.6431 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.3671 5.2989 -8.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 3.9422 -10.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 4.4331 -10.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8751 6.8595 -0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2631 8.4794 -1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4221 8.1701 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1205 8.0938 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4527 7.0023 -1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4821 5.7171 0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1321 5.1848 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2483 7.2241 2.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 6.7761 1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9367 5.6362 3.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 4.4833 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 5.5833 2.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 3.4709 2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 2.3530 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8211 2.8622 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7306 1.5635 3.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0801 -0.5707 2.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8778 -0.5817 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8943 0.7245 0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6241 -2.1226 0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8973 -0.8930 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6197 -0.4200 -1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3681 -1.6196 -1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4078 -2.2665 -1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -3.4186 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -3.6264 -3.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0786 -3.3095 -3.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3213 -1.3211 -4.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3558 -2.1781 -5.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6429 0.2349 -3.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6503 -0.0408 -5.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6504 -1.0846 -4.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9655 0.8852 -2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2967 0.0402 -3.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7785 -4.2026 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0314 -4.1495 -1.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 -2.4060 0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 -2.4338 0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3366 -4.9616 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 -4.6743 0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -2.9727 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3402 -3.6260 4.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -5.4988 1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2756 -5.9611 3.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3553 -3.8703 2.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8827 -4.9272 3.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 -7.3365 4.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3589 -6.4206 4.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3116 -6.3923 5.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 -5.9786 8.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9406 -6.5885 8.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -5.4402 6.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9472 -4.7468 9.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 -2.5897 9.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0566 -3.6471 6.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 -1.0039 7.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2836 -1.9423 5.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3637 0.6007 5.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.0124 4.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6947 -1.7177 4.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 0.6928 3.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6633 -0.9067 2.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1682 -0.7199 3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 1.9610 -4.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 1.0047 -5.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 1.7020 -7.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 3.4481 -7.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0996 2.0737 -9.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 3.2383 -8.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 6.2332 -9.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 5.4180 -8.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3913 5.1986 -8.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 4.5054 -11.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3526 2.8706 -10.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 4.3330 -10.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 4.6977 -11.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3673 5.2578 -9.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 3.5404 -10.4632 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 6 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 6 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 55127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 57135 1 0 M CHG 2 50 -1 54 1 M END