HMDB0008354 RDKit 3D PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 144143 0 0 0 0 0 0 0 0999 V2000 3.9659 5.3882 -2.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 4.0447 -2.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1018 3.7443 -4.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8277 2.7053 -4.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0801 1.6664 -3.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5598 1.6332 -3.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2353 0.5491 -3.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7348 -0.7147 -3.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9578 -1.9786 -3.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6124 -2.2939 -2.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3619 -1.4272 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9603 -1.7692 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4778 -0.9843 0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2174 0.4377 0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1507 1.2488 1.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 1.9946 2.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5547 2.2529 3.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2289 3.6953 3.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1048 4.2032 2.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 3.4258 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5561 3.6840 0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 2.9120 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 3.5800 0.3588 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 1.5615 0.1222 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9978 0.9725 -0.1541 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6756 -0.0318 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5864 -0.5906 0.7097 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 0.0987 0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7676 1.3417 0.7364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1043 -0.5695 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1053 0.5291 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 -0.0169 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 1.0301 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7038 2.1216 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1767 1.8017 2.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3345 3.1183 2.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8291 3.2444 4.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2285 2.7165 5.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8098 3.1220 5.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8915 2.3586 5.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8227 1.0430 6.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9423 0.1960 6.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1514 -1.0715 6.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1543 -1.8844 5.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5568 -2.5999 4.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1844 -1.8588 3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5398 -1.2806 3.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5290 -2.3859 4.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0314 0.2476 -1.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3439 1.0458 -2.5487 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3319 0.0050 -3.9003 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0785 0.6785 -5.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -0.3253 -4.3870 O 0 0 0 0 0 1 0 0 0 0 0 0 2.1311 -1.4121 -3.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 -2.4908 -3.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9953 -3.7217 -3.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 -4.9202 -3.1050 N 0 0 0 0 0 4 0 0 0 0 0 0 0.3428 -5.0174 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -6.0535 -3.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3827 -5.0441 -4.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1464 5.9658 -1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 5.9235 -3.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6683 5.1368 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4886 3.3356 -2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 4.2583 -3.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9729 4.4608 -5.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 2.4900 -5.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7196 1.9580 -2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5874 0.7710 -3.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0493 2.5702 -2.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3507 0.6928 -3.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0146 -0.8113 -5.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5997 -0.6469 -4.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4604 -2.9044 -3.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 -3.4190 -1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3382 -0.3665 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4671 -1.7085 -1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0960 -2.8437 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2054 -1.3390 1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 0.6471 1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1419 0.7667 -0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2089 1.1830 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6995 2.5461 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7697 1.5651 2.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6948 2.0762 4.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9938 4.4190 3.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 5.3137 2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0316 3.6976 2.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 2.3263 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3966 3.2656 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 4.7568 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2372 1.7674 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4734 -0.7988 1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7185 0.5233 1.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3749 -1.1672 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0214 -1.2913 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0498 1.1975 1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7346 1.0837 -0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7487 -0.6945 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4311 -0.6757 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4991 0.5044 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3174 1.4473 -1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8657 2.8673 0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5587 2.7580 0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4906 1.1073 2.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1792 1.3422 1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0721 3.6933 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3476 3.7083 2.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0233 4.3777 4.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9431 2.9021 4.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2456 1.6199 5.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7890 3.1325 6.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5383 4.1641 5.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 2.9013 5.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9799 0.5123 5.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2983 1.1450 7.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8043 0.6375 7.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1058 -1.5626 6.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1585 -1.3743 5.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8909 -2.7136 6.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1401 -3.5051 4.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6004 -3.0548 3.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2970 -2.5029 2.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5193 -0.9961 2.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5447 -0.4911 4.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9421 -0.8884 2.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8983 -2.9005 3.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4270 -1.8515 4.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1130 -3.0932 4.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 -0.1102 -1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 -0.6473 -1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 -2.5745 -4.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3615 -2.2614 -2.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3431 -3.5731 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9108 -3.7752 -3.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6177 -4.4914 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 -4.5946 -1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 -6.0770 -1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0094 -5.7670 -2.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 -6.2701 -4.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6312 -6.9403 -2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -4.1668 -4.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9743 -5.3640 -5.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3211 -5.8832 -4.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 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 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 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 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 6 26 93 1 0 26 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 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 M CHG 2 53 -1 57 1 M END