HMDB0287727 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 140139 0 0 0 0 0 0 0 0999 V2000 8.1275 -4.6761 -1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9753 -3.6131 -1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1382 -4.1223 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7642 -3.5725 1.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0677 -2.2371 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8842 -1.2770 2.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 -0.6201 3.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0518 -0.6879 3.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5539 0.7105 3.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5277 1.1900 3.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5402 0.6140 2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 -0.7450 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6997 -1.6569 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -1.4623 2.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 -2.4109 4.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6217 -1.9825 5.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5688 -0.5960 5.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 -0.3510 6.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 1.0895 7.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 2.0448 6.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1943 3.0019 6.0493 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4741 1.9586 4.9628 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5546 2.9475 3.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 2.7892 2.8353 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2362 3.9109 1.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1324 3.6440 0.7411 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0018 4.8443 -0.4388 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0896 5.9366 0.0419 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5646 5.4512 -0.7867 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.4000 4.1355 -1.8593 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 4.3132 -1.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5994 3.7048 -3.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4112 2.2995 -3.2588 N 0 0 0 0 0 4 0 0 0 0 0 0 0.3836 1.7319 -2.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 2.0314 -4.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 1.5341 -3.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7386 2.8250 3.2582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 1.8332 2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 0.9325 2.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 1.8582 3.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9582 0.9319 2.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9773 1.3136 1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4446 2.6965 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4968 2.9769 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3216 2.0023 -0.5930 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6738 2.0631 -0.2259 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3078 2.4150 -2.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2612 2.0461 -2.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1550 2.3917 -4.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1672 2.0644 -4.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0082 1.2730 -4.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9359 0.0224 -5.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0359 -1.1470 -4.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 -1.3690 -3.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3188 -2.5966 -2.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5123 -2.7957 -1.3000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5647 -3.6889 -1.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -3.4032 -0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -2.5473 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0081 -2.9478 -1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8074 -4.2767 -2.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3867 -4.9393 -1.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7279 -4.2573 -2.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6901 -5.6247 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2759 -4.8884 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9484 -3.6168 -1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 -2.6770 -1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6441 -5.1008 0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 -4.0668 2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 -2.3927 1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0533 -1.8589 0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9346 -1.0980 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 0.0698 3.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4592 -1.3929 3.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1791 -1.0741 4.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1916 1.4180 4.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3813 2.3226 3.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4969 0.8898 2.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 1.2619 1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4366 -1.0339 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8882 -2.6621 1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 -1.8579 2.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2326 -0.4526 3.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 -3.4838 3.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6964 -2.7513 6.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 -0.4131 6.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 0.1883 5.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4172 -0.5677 6.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 -0.9828 7.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5374 1.3199 7.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 1.2339 7.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3906 3.9718 4.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5987 3.0049 3.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 1.8409 2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 4.8816 2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7959 3.8902 1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1213 5.4295 -2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4299 4.0307 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 4.2711 -4.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6806 3.9225 -3.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 1.9466 -2.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5095 0.6121 -2.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 1.9927 -1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8708 2.2676 -5.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1089 2.5828 -4.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8441 0.9295 -4.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3514 0.4554 -3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4166 1.8119 -3.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0618 1.6621 -2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4221 2.8864 3.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0823 1.5091 4.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 -0.1133 2.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9723 0.9818 2.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 1.3095 0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4462 0.5396 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8772 3.5349 1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8179 4.0456 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0347 0.9623 -0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7514 1.4461 0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0788 2.9818 -2.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5047 1.4733 -2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9619 2.9815 -4.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1739 2.3804 -6.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0545 1.1339 -3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0456 1.8381 -4.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7955 0.1185 -6.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9726 -2.0489 -5.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2915 -0.5713 -2.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2614 -3.4648 -3.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7046 -1.8426 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8780 -4.0793 -1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5282 -3.4001 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -4.4622 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1246 -1.5221 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1764 -2.2243 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5241 -4.1743 -3.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6416 -4.9617 -1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2742 -4.2520 -1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 -5.8799 -1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1927 -5.1581 -0.3047 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 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 23 92 1 0 23 93 1 0 24 94 1 6 25 95 1 0 25 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 34101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 36109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 44117 1 0 45118 1 6 46119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 53127 1 0 54128 1 0 55129 1 0 56130 1 1 57131 1 0 58132 1 0 58133 1 0 59134 1 0 60135 1 0 61136 1 0 61137 1 0 62138 1 0 62139 1 0 62140 1 0 M CHG 2 29 -1 33 1 M END