HMDB0275655 RDKit 3D PGP(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-20:0) 148147 0 0 0 0 0 0 0 0999 V2000 7.8740 0.8456 -4.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7258 1.0091 -5.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9331 2.2528 -5.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3041 2.2996 -3.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5104 3.5590 -3.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 3.7016 -2.1940 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9580 2.6034 -2.0357 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6475 3.8341 -0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 3.5119 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7801 3.5806 1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1582 3.1946 2.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8312 2.6789 2.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 2.3143 3.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0432 1.8895 4.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 1.9150 5.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 1.4705 6.5342 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9421 1.5473 5.8681 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3927 0.1025 7.0799 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5440 0.0084 7.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5548 -1.0315 6.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8403 -1.1361 5.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -2.2096 4.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0088 -1.8983 3.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1897 -2.1423 3.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 -1.3428 2.0319 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0473 -0.9153 0.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -1.8704 -0.1043 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4980 -1.2724 -1.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2425 -2.1565 -2.5148 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4849 -1.4528 -4.0294 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5953 0.0432 -3.8782 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7552 -1.8018 -5.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9416 -2.0839 -4.7162 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8672 -2.2135 -3.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1755 -2.8094 -4.0724 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9585 -2.8375 -2.8993 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 -4.2584 -4.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1846 -4.7907 -3.3807 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 -6.3974 -3.7062 P 0 0 0 0 0 5 0 0 0 0 0 0 3.4156 -6.7753 -5.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 -6.6992 -3.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 -7.3288 -2.5161 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 -2.3618 0.2459 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 -3.6026 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4302 -4.5369 0.4716 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7035 -3.9151 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -5.3580 1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3729 -5.7348 1.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -5.3139 2.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3096 -3.8965 2.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9416 -3.0291 1.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1478 -1.6192 2.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7172 -0.7818 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0955 0.6062 1.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0367 1.5147 2.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6207 2.9376 2.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9739 3.4972 1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7669 3.7609 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9526 4.9401 0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7388 5.2113 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6592 4.2001 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9196 4.0120 1.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 3.5774 2.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 3.1268 1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3539 -0.1367 -4.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5317 0.7691 -3.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 1.6088 -4.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0978 1.0260 -6.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 0.0944 -5.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1066 2.3373 -5.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6258 3.1339 -5.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1061 2.2792 -2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6885 1.3947 -3.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1234 4.4674 -3.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 3.5798 -4.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 4.6311 -2.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0982 2.9534 -1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 4.1874 -1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0912 3.1646 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7873 3.9483 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6847 3.2702 3.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 2.6957 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 1.5762 2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 1.5310 4.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 2.2436 5.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 2.2192 7.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5925 1.3878 6.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4671 -0.1005 7.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 0.3308 7.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 -0.9898 5.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3673 -1.9644 6.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3535 -0.2728 5.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 -1.5536 6.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9829 -2.2676 4.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 -3.2235 4.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3329 -0.0426 1.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8915 -0.3791 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 -2.7735 -0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 -0.3258 -1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5567 -0.9586 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 -1.6298 -6.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0784 -1.1712 -3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3983 -2.7762 -2.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6743 -2.2234 -4.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 -2.1553 -2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -4.8152 -4.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 -4.2236 -5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0324 -7.6914 -3.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 -8.2641 -2.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0859 -3.2487 1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -3.6084 -0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5789 -5.9432 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2696 -5.6855 1.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0102 -5.5459 0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4124 -6.8898 1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7464 -5.8516 3.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1658 -5.7480 2.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0893 -3.9298 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4736 -3.3703 3.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4231 -2.9569 0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9760 -3.3941 1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 -1.6725 3.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1795 -1.2216 2.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6467 -1.3040 1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 -0.8384 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5543 1.0407 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9493 0.5746 2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7322 1.2200 3.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1708 1.5888 1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8405 3.5151 2.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5225 2.8398 3.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7065 2.9580 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3996 4.5356 1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1299 3.9381 -0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0739 2.9013 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 4.8207 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6628 5.8311 0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3117 6.2151 0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1112 5.3964 -1.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 4.5394 -0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0295 3.2265 -0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5078 5.0647 1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9042 4.4706 3.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4684 2.8877 2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8861 3.0368 3.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2134 3.6420 1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5225 2.9149 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8776 2.1876 1.5424 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 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 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 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 39 42 1 0 27 43 1 0 43 44 1 0 44 45 2 0 44 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 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 62 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 6 7 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 15 85 1 0 16 86 1 1 17 87 1 0 18 88 1 1 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 22 94 1 0 22 95 1 0 26 96 1 0 26 97 1 0 27 98 1 6 28 99 1 0 28100 1 0 32101 1 0 34102 1 0 34103 1 0 35104 1 6 36105 1 0 37106 1 0 37107 1 0 41108 1 0 42109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 61140 1 0 61141 1 0 62142 1 0 63143 1 0 63144 1 0 63145 1 0 64146 1 0 64147 1 0 64148 1 0 M END