HMDB0272313 RDKit 3D PGP(20:4(5E,8Z,12Z,14Z)-OH(11R)/16:0) 134133 0 0 0 0 0 0 0 0999 V2000 -3.5513 5.9060 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7246 6.7564 0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4754 7.1370 1.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5213 6.1454 1.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8681 5.1307 2.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8888 4.1678 2.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 2.8762 2.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3566 2.3078 2.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2192 0.9665 2.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3968 0.2009 2.2025 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7195 0.4810 0.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9527 -1.2950 2.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -2.1088 1.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5857 -3.0899 2.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3274 -3.7082 3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 -3.4006 4.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4601 -2.9526 5.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3994 -2.6487 6.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2893 -1.2377 7.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -0.2981 6.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 -0.6683 5.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4662 -0.2388 6.2789 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8438 -1.4157 4.4606 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 -1.6741 4.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 -2.4785 2.9963 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0029 -2.7843 2.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3072 -3.6954 2.0024 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9655 -4.0020 2.0213 P 0 0 0 0 0 5 0 0 0 0 0 0 6.2525 -5.4519 2.3754 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8059 -2.9780 3.0772 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5189 -3.6599 0.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3477 -2.2632 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8047 -1.8958 -1.0755 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1340 -2.2542 -1.2212 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9934 -2.7065 -2.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 -2.4005 -3.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 -3.2314 -4.5419 P 0 0 0 0 0 5 0 0 0 0 0 0 6.2956 -4.5329 -4.9131 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0528 -3.5156 -4.0097 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5406 -2.3037 -5.9662 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 -1.9415 1.7773 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3412 -2.5327 0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -3.7003 1.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9839 -1.8575 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0644 -2.6940 -1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3272 -1.9610 -2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2528 -2.8452 -3.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7725 -2.1826 -4.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6749 -1.8629 -5.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9035 -1.2344 -6.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 0.1111 -7.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 0.7696 -6.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0577 1.0321 -5.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2306 1.7533 -4.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8194 3.1536 -4.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9567 3.3933 -5.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5712 4.8777 -5.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7691 5.7628 -6.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1328 6.2597 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9972 4.8976 -0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4877 5.6954 -0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5535 6.4032 1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1326 7.7491 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7832 7.7732 2.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 7.8715 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6435 6.7374 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9772 5.6026 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1581 5.6025 3.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9273 4.5924 3.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9149 4.5144 2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 2.2653 2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4548 2.7914 3.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 0.5112 2.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2771 0.3115 2.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8488 0.4349 0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 -1.5117 3.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0894 -1.2726 1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4779 -1.8238 0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4631 -3.5668 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3053 -4.8664 3.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2976 -3.6669 4.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2139 -3.5542 4.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5148 -2.8033 6.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -3.0813 6.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6446 -3.2532 7.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2892 -0.8885 7.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 -1.1213 7.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 0.7112 6.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 -0.2803 5.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7812 -0.7199 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5925 -2.2445 5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0368 -3.5036 3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4845 -1.7926 2.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3123 -3.1040 3.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 -2.0555 3.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3043 -1.9854 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9785 -1.7974 1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 -0.7982 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2709 -2.8743 -1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 -3.7730 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9285 -2.4637 -1.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4987 -2.6925 -4.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0626 -2.8930 -6.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 -1.6168 -1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5035 -0.8938 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8126 -2.9653 -0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6178 -3.6013 -1.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6217 -1.7215 -3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 -0.9966 -2.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1555 -3.0507 -2.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7659 -3.7754 -3.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4798 -1.4290 -4.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3819 -3.0113 -5.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0646 -2.8242 -5.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -1.2559 -4.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0728 -1.4455 -7.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6198 -1.9381 -7.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 0.2111 -8.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.7890 -6.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 1.6023 -7.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4309 -0.0080 -7.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6994 0.2251 -4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9501 1.8178 -5.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 1.1646 -4.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8233 1.7575 -3.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 3.7639 -4.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 3.5333 -3.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0338 2.8824 -5.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4147 3.0670 -6.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0804 5.0965 -5.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 4.9419 -6.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8728 6.3730 -5.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6942 5.1952 -6.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6088 6.4832 -6.9307 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 37 40 1 0 25 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 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 3 65 1 0 4 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 9 73 1 0 10 74 1 1 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 24 90 1 0 24 91 1 0 25 92 1 1 26 93 1 0 26 94 1 0 30 95 1 0 32 96 1 0 32 97 1 0 33 98 1 6 34 99 1 0 35100 1 0 35101 1 0 39102 1 0 40103 1 0 44104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 M END