HMDB0264692 RDKit 3D PA(20:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) 132131 0 0 0 0 0 0 0 0999 V2000 2.7236 -3.4053 -3.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8756 -1.9023 -3.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 -1.3507 -3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 -0.4231 -4.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 0.2711 -5.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7447 1.7229 -4.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7129 2.6000 -5.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 2.2709 -7.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5735 2.9432 -8.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4989 2.5166 -8.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 1.1085 -8.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.0769 -8.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2631 0.8012 -7.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1688 0.4010 -6.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 0.3145 -5.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 1.1560 -4.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7388 2.1041 -4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 2.8933 -2.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 2.7669 -2.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1744 1.6275 -1.4934 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0722 3.9393 -1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9578 4.0120 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7269 5.1645 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1769 5.9961 0.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 5.2787 1.6768 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4662 6.3133 2.6398 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1679 5.7236 4.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0314 5.0186 4.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4612 4.3879 5.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2108 4.4328 6.2235 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7471 3.6249 5.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4976 2.1728 4.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 1.4774 4.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 0.0434 4.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 -0.8344 5.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8864 -2.2716 4.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3609 -2.3580 3.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3637 -3.7968 2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7998 -3.8075 1.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8503 -5.2299 0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 -5.3319 -0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1641 -4.9092 -0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0219 -5.7952 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9593 -7.2420 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8235 -8.0503 0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 -9.5062 0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4935 -10.0959 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5993 -11.5806 0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -12.1824 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8036 6.9821 2.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6923 5.9595 3.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2638 6.5036 3.3331 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.3866 7.9952 3.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8204 5.8732 4.8273 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2969 5.8557 2.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2718 -3.9722 -2.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6586 -3.7077 -3.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 -3.6181 -4.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -1.3836 -3.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1603 -1.8373 -1.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -1.7818 -3.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8211 -0.1004 -5.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8575 -0.0995 -4.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3304 -0.0307 -6.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 2.0525 -3.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8312 3.6544 -5.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 2.5286 -7.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 1.1629 -7.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7981 4.0310 -8.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 3.1764 -9.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5503 0.7350 -7.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 0.5618 -9.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8525 1.4037 -9.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3645 0.8749 -7.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6325 -0.6869 -6.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9624 0.9636 -5.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -0.3882 -5.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1349 1.0633 -3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7061 2.2770 -4.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 3.6309 -2.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 2.6510 -3.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7202 1.2148 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1815 4.8786 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 3.8123 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 3.1053 0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9512 4.1960 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 7.0431 2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 6.5736 4.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9821 5.0328 4.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 3.6510 6.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 4.1000 4.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 2.2386 3.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 1.6972 5.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2258 1.5903 5.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5202 2.0243 4.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 0.0026 3.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 -0.3195 4.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8942 -0.4469 5.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 -0.9205 6.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 -2.6347 4.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3232 -2.8655 5.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 -1.7810 2.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2897 -2.0477 3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6627 -4.3711 3.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3495 -4.2637 2.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2237 -3.3940 1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4778 -3.2021 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 -5.9273 1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 -5.5122 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8577 -4.6005 -1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4426 -6.3175 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3028 -3.8790 -0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5316 -5.0480 -1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 -5.7050 1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0737 -5.4660 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4398 -7.3282 -1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9328 -7.6006 -0.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8472 -7.5773 0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5402 -7.8898 1.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 -9.6350 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5358 -9.9690 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -9.5981 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0239 -9.9664 1.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 -12.0537 0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0193 -11.7272 -0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -13.2345 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 -11.5971 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -12.2305 -0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8635 7.7585 3.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1991 7.3254 1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3856 4.9855 5.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7764 5.6890 1.3107 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 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 6 27 88 1 0 27 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 54131 1 0 55132 1 0 M END