HMDB0286123 RDKit 3D PC(17:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) 138137 0 0 0 0 0 0 0 0999 V2000 -4.1687 -0.9913 7.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2057 -1.5606 6.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 -2.7261 6.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 -3.8336 7.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -4.9705 6.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0383 -5.5166 5.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3227 -5.5430 3.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5679 -4.9994 3.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9516 -4.9744 2.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1371 -5.5072 1.1645 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6020 -6.7457 1.4837 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0391 -4.4779 0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -3.2153 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4654 -2.0785 1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6252 -1.9164 2.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 -0.8722 2.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 -0.9844 2.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 0.1642 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6033 0.4904 1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4547 0.7552 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0476 -0.2367 -1.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1516 0.0846 -2.5212 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1465 -1.5546 -1.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 -2.5005 -2.0032 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9533 -2.9679 -1.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 -1.8799 -1.8173 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 -1.0660 -2.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -1.2632 -3.9481 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0874 0.0713 -2.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 1.3121 -2.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1946 2.4522 -2.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6569 3.7352 -1.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6838 4.5219 -2.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 3.9243 -2.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4696 4.9985 -3.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8169 4.3402 -3.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 5.3239 -4.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1682 6.3670 -3.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 5.7091 -2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2092 6.7690 -1.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 6.1483 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9696 5.1825 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 4.5878 1.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9227 3.8445 1.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 -3.6451 -2.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5825 -4.4174 -1.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 -5.6842 -1.3403 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2094 -6.2813 -0.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8864 -6.9056 -2.2073 O 0 0 0 0 0 1 0 0 0 0 0 0 2.9462 -5.1020 -2.3177 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -4.4168 -1.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0052 -3.8662 -2.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7947 -4.8048 -3.0770 N 0 0 0 0 0 4 0 0 0 0 0 0 6.8069 -4.0534 -3.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -5.5322 -4.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4894 -5.7548 -2.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1097 -0.7101 7.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4451 -1.7138 8.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6719 -0.0713 8.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3009 -1.8591 7.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9818 -0.7618 6.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 -3.1258 5.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7715 -2.3783 5.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3182 -4.2236 7.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9767 -3.4833 7.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8717 -4.6389 6.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0693 -5.8343 7.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0654 -5.9504 5.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5655 -5.9916 3.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2919 -4.5581 4.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9206 -4.5417 1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7393 -5.6334 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8667 -6.9861 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5688 -4.9754 -0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2649 -4.4528 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3019 -3.2270 -0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9667 -1.1426 0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3414 -1.5512 3.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -2.8567 2.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 0.1544 1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9277 -2.0251 2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1386 1.0873 2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 0.2892 3.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 1.3490 1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3995 -0.3507 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 1.6846 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 1.2574 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 -1.9442 -2.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9894 -3.4019 -0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2217 -3.7367 -2.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7827 -0.1244 -1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6557 0.2713 -3.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4986 1.3867 -3.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 0.9729 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 2.6380 -3.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 2.1939 -1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5219 4.4200 -1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 3.5155 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5205 5.5004 -1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2232 4.8882 -3.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 3.5180 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5172 3.1773 -3.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 5.7880 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9938 5.3552 -4.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 3.5867 -4.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 3.7180 -3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3278 5.8346 -5.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6765 4.7960 -4.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9475 7.0539 -3.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3074 6.9556 -3.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 5.1941 -2.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 5.0122 -1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 7.3318 -0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9465 7.4639 -1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 5.6336 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0968 6.9676 0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 5.6841 1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6575 4.3130 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9386 5.3314 2.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9911 3.8440 2.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7971 4.5232 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1197 3.0923 2.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7948 3.2933 0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0476 -4.3205 -3.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 -3.3521 -2.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2285 -5.0468 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3431 -3.5628 -1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6326 -3.2541 -1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5353 -3.1786 -3.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 -3.6102 -3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2601 -3.2139 -4.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2765 -4.6684 -4.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 -4.8751 -4.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 -6.4266 -3.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6780 -5.7652 -4.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2205 -5.2420 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8482 -6.3788 -1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1164 -6.4150 -2.8754 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 6 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 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 6 25 89 1 0 25 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 54130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M CHG 2 49 -1 53 1 M END