HMDB0266049 RDKit 3D PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 129128 0 0 0 0 0 0 0 0999 V2000 -17.6678 -2.1603 -0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1993 -0.8099 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9318 -0.7911 1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7362 -0.5336 1.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5804 -0.2535 0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9562 1.1090 0.9844 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.8736 1.1619 0.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4202 1.2680 2.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1809 0.8173 2.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6659 0.9723 3.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4648 0.5572 4.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5944 -0.0793 3.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3693 -0.4887 3.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4310 -1.1449 2.7260 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1408 -0.7023 3.0134 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8201 -0.8331 1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7646 0.5945 1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0574 1.1240 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2285 0.3811 -0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8443 0.8568 -0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7911 0.1416 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8789 -1.2981 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1963 -1.5222 1.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 -1.1361 0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -1.0233 1.9869 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2073 -0.9210 -0.2419 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0412 -0.5620 -0.6827 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0557 0.7487 -1.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0473 1.1790 -2.0511 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 1.5071 -1.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6866 1.3980 -0.5667 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2019 1.9889 -2.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9921 0.8478 -3.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6719 1.3976 -4.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9084 1.4768 -4.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 1.0617 -4.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0716 0.3909 -2.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6171 0.9230 -1.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2423 2.2677 -1.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6848 2.3016 -1.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3419 2.9634 -0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8619 3.8153 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1523 3.6103 1.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7947 2.6726 2.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3986 1.5148 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9579 0.2303 2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8702 -0.5706 2.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3148 -0.3375 2.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0120 -1.4382 1.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4793 -1.2269 1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1466 -2.3262 0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9771 -3.6731 1.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6173 -1.6584 -1.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2025 -1.9116 -2.6505 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4346 -3.1711 -3.5790 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0845 -4.2177 -2.6847 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8361 -3.9106 -4.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 -2.6448 -4.6671 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3222 -2.3522 -1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7705 -2.2535 -0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2855 -2.9127 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4659 -0.3163 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1375 -0.1496 -0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7676 -0.9973 1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6284 -0.5346 2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6697 -0.4590 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7533 -0.9740 1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6134 1.9493 0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2075 1.1329 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9575 1.7188 3.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6431 0.3611 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3094 1.4531 4.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1326 0.7041 5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9272 -0.2569 2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0875 -0.2945 4.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4099 -2.2431 2.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1455 0.1704 3.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8237 -1.2561 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0801 -1.4309 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3568 1.2819 1.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0690 2.2383 -0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6137 0.7337 -1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3567 -0.6985 -0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7126 1.9398 -1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7801 0.6438 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3509 -1.9097 -1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8881 -1.6980 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6965 -0.8582 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2499 -2.5760 1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7323 -0.4160 0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 0.5591 -2.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5558 1.5214 -0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 2.5280 -3.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9408 2.6718 -2.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 0.2718 -2.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 0.1510 -3.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9462 1.8220 -5.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1385 1.9698 -5.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 0.2913 -4.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8700 1.8818 -4.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6316 -0.6228 -2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5871 0.3704 -0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8363 2.9059 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8066 2.7989 -1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2979 1.6881 -2.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4776 2.8787 -0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7223 3.9357 0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1472 4.9368 -0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7415 4.4195 2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9324 2.7033 3.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8475 1.3568 0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4486 1.5040 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8699 0.0529 2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 -1.4837 3.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6960 -0.4781 3.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6823 0.6252 2.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8791 -2.4182 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4913 -1.5761 0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7065 -0.2679 1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9332 -1.2734 2.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8303 -2.2825 -0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2395 -2.0935 0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2588 -4.2623 0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9498 -4.2602 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6759 -3.6280 2.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 -2.5793 -0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 -1.4283 -1.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -3.3573 -4.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4345 -1.7229 -4.9747 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 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 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 27 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 6 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 6 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 27 90 1 1 28 91 1 0 28 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 57128 1 0 58129 1 0 M END