HMDB0008351 RDKit 3D PC(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) 148147 0 0 0 0 0 0 0 0999 V2000 0.1053 2.4049 10.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 3.5386 9.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 4.1330 8.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1277 5.2695 7.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3463 5.7944 6.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9654 6.9066 6.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 6.8897 4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6755 5.7754 3.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8936 6.2432 3.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 6.2605 2.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9362 5.8170 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6705 6.9899 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7939 7.0604 -1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2381 5.8982 -1.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 5.5088 -2.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 4.3728 -2.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 3.2827 -2.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3505 1.9871 -2.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 2.1842 -3.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 0.9125 -3.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3505 -0.1151 -2.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0432 -1.4008 -2.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8139 -1.5193 -3.8885 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8483 -2.5194 -2.1093 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4485 -3.7752 -2.2707 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4401 -4.8160 -2.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3656 -4.8778 -1.8361 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3256 -5.8001 -2.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 -6.5197 -3.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -5.9514 -1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7034 -7.1162 -1.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3463 -7.2055 -2.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3068 -6.0750 -3.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8565 -6.3950 -4.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8431 -5.4549 -5.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2789 -4.0609 -5.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3138 -3.1532 -5.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 -1.7329 -6.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8931 -1.0194 -6.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4693 0.0362 -6.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1283 0.6914 -5.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3417 0.6832 -4.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 0.1135 -2.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2088 -0.5645 -2.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9078 0.1768 -1.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7567 -0.4389 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5143 0.3460 1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 -0.2644 1.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9466 -4.2285 -0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8726 -3.3657 -0.3573 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3103 -4.0362 1.1411 P 0 0 0 0 0 5 0 0 0 0 0 0 7.7698 -3.7991 1.4665 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1457 -5.7342 0.9892 O 0 0 0 0 0 1 0 0 0 0 0 0 5.3038 -3.5661 2.3899 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5952 -2.3977 2.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 -2.1361 3.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9507 -0.9515 3.2780 N 0 0 0 0 0 4 0 0 0 0 0 0 2.7192 -0.5608 1.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6303 -1.2512 3.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4604 0.1644 4.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6274 1.5923 10.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.9439 9.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4396 2.7955 11.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7567 4.3411 10.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 3.2046 8.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4484 4.5559 9.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 3.3881 7.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2809 6.0580 8.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 4.8570 7.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 6.1867 7.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7529 4.9118 6.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5269 7.8157 6.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7858 7.8056 4.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 4.9935 4.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9474 5.2253 3.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6999 6.5793 3.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9544 6.6214 1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9526 5.6463 1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2431 4.9604 0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3273 7.9033 0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5638 8.0067 -1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 5.0747 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1784 6.2660 -2.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 6.2658 -3.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0374 4.2182 -3.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2443 2.9845 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3978 3.4868 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 1.2931 -1.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6775 1.5424 -3.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4136 2.5512 -2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7314 2.9827 -3.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 1.1709 -3.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 0.5915 -4.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 -0.3276 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8534 0.2873 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2171 -3.7635 -3.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1203 -4.5710 -3.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9046 -5.8183 -2.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4967 -6.0590 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 -5.0385 -1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1752 -8.0893 -1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 -7.0998 -0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 -7.3106 -3.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9783 -8.1393 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 -6.0743 -2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7762 -5.1183 -3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9909 -6.4680 -5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3258 -7.4237 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7518 -5.3214 -4.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1797 -5.8202 -6.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 -4.1585 -5.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0846 -3.6665 -4.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6284 -3.5660 -6.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1658 -3.0663 -5.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3783 -1.3036 -5.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9379 -1.8615 -6.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2129 -1.4621 -7.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2886 0.4687 -6.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9702 1.7950 -5.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2962 0.3016 -4.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2759 1.1567 -4.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2937 0.1557 -2.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2782 -0.6739 -2.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5533 -1.6160 -2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7093 1.2353 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8242 0.0312 -0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9425 -1.4860 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8144 -0.3840 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2245 1.3828 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4606 0.3236 1.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 0.2209 1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4514 0.0708 2.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -1.3623 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3767 -5.2432 -1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -4.2864 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9135 -2.4599 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2734 -1.5445 1.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0652 -3.0137 3.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3703 -2.0408 4.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1165 0.3823 1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 -1.3279 1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -0.3431 1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1637 -0.2769 4.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 -1.7161 3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 -1.9056 4.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4776 0.4185 3.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -0.1258 5.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7316 0.9992 3.9275 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 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 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 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 21 94 1 0 21 95 1 0 25 96 1 6 26 97 1 0 26 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 58140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 60146 1 0 60147 1 0 60148 1 0 M CHG 2 53 -1 57 1 M END