HMDB0262212 RDKit 3D PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 134133 0 0 0 0 0 0 0 0999 V2000 -0.5619 -10.1992 -5.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7661 -9.8065 -4.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -8.9851 -5.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 -7.7554 -5.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5796 -7.0976 -4.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -6.6987 -3.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -5.8246 -3.9167 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 -6.0390 -1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9709 -6.2108 -0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4864 -5.5191 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0119 -5.6415 1.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -4.9071 2.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 -4.1085 3.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5932 -2.8304 3.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -1.7894 3.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4136 -2.0099 2.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2061 -1.7674 2.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0361 -1.2116 4.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6669 0.1116 4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 0.3487 4.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6872 -0.6875 5.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0730 -0.6665 4.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 -0.7276 3.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3919 -1.8345 2.8042 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1459 0.3935 2.5965 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2647 0.7390 1.3060 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9841 1.1700 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1688 0.0943 0.2626 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 0.2014 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5183 1.3510 -0.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1839 -1.0158 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1844 -0.8671 -1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -0.0284 -2.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6377 -0.0270 -3.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3869 0.9967 -3.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1729 2.4131 -2.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 3.2759 -4.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3979 4.1395 -4.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1347 4.5828 -3.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5663 4.0438 -2.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 4.7856 -1.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 6.1982 -1.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 6.4639 -0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4359 6.0646 0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 6.4065 1.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2842 6.0450 3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 4.5993 3.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6679 4.4903 5.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3437 3.0702 5.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3709 1.6821 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 2.9128 1.5593 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6187 3.8922 1.0853 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.4771 3.0536 0.1375 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5713 4.3319 2.4131 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0652 5.2648 0.2794 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6808 4.9371 -1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1941 6.1167 -1.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8283 5.6139 -3.1154 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2574 -9.3453 -5.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4051 -10.5392 -6.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0456 -11.0159 -4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2931 -10.7950 -4.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5184 -9.3784 -3.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -9.4166 -6.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5442 -7.2184 -5.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8006 -7.5276 -3.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1397 -6.0756 -4.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3846 -7.6382 -2.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0404 -5.3479 -4.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 -5.3634 -1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8196 -6.8636 -0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6207 -4.8579 0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8709 -6.3007 1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2571 -5.7578 3.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5781 -4.4034 2.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 -4.6359 3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5543 -2.4050 3.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3001 -1.0475 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 -1.1203 4.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 -2.4169 1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 -1.9959 2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 -1.0889 4.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6278 -1.9129 4.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 0.9997 3.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2639 1.3713 4.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8492 -0.3111 6.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2892 -1.6825 5.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6582 0.2192 5.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6098 -1.5378 5.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5645 -0.2288 0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 1.6870 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4387 1.9507 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -1.7741 0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7794 -1.4457 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 -1.8538 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7969 -0.3669 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 0.9710 -2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 -0.4564 -3.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 -1.0445 -3.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4072 0.8096 -3.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 2.5536 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 2.7165 -2.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 3.1025 -4.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 4.6619 -5.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3513 4.3420 -4.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0402 5.7238 -3.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1934 3.0353 -2.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0349 4.3270 -0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 6.7349 -2.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1812 6.7001 -1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 7.5836 -0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8085 6.0617 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2384 5.0035 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 6.6371 1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8862 7.4596 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 5.7384 1.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 6.6824 3.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1761 6.2750 3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1303 4.2093 2.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9055 4.0159 3.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 5.1232 5.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5416 4.8131 5.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2914 2.9642 5.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6395 2.4125 4.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9804 2.7427 6.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 1.1502 1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3832 1.8086 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9880 4.6452 3.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5179 4.4912 -1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8369 4.2132 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3053 6.6184 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0019 6.8722 -1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2049 6.1662 -3.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0488 4.5942 -3.2254 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 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 2 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 2 0 29 31 1 0 31 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 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 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 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 26 90 1 6 27 91 1 0 27 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 54128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 M END