HMDB0284459 RDKit 3D PE(20:4(5Z,8Z,11Z,13E)-OH(15S)/24:0) 150149 0 0 0 0 0 0 0 0999 V2000 -8.0190 7.3629 7.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9691 6.2628 6.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8891 6.3486 7.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8419 5.3277 7.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 5.1316 6.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3881 4.8788 5.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 4.5047 4.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2716 5.5245 4.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 5.0621 3.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5679 3.8221 3.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 3.2603 2.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 2.9390 1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6043 2.0347 1.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5801 1.5139 0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3505 2.3880 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7413 3.1090 -1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2482 2.2696 -2.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1276 1.3786 -2.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2725 1.8399 -2.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 0.6832 -2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5737 -0.0562 -1.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5892 -0.5808 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2418 -1.3292 0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1879 -0.5312 1.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3449 0.6932 1.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -1.0042 2.3236 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9579 -0.0943 2.9216 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3514 -0.6862 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1572 -0.8824 1.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9459 -1.4174 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -1.8120 0.4951 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 -1.5112 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6682 -2.8805 -1.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8993 -3.0824 -2.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1568 -4.4208 -3.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 -5.3473 -3.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 -5.1174 -3.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 -6.0523 -2.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6203 -6.9253 -2.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6476 -7.1826 -3.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8425 -8.5658 -3.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1179 -8.8956 -4.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2425 -7.8760 -5.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5271 -8.2212 -7.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6302 -7.0951 -8.0882 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4783 -6.1420 -7.5919 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2262 -6.5811 -8.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1515 -5.4612 -9.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -4.1996 -8.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 -3.5951 -7.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0989 -3.2349 -7.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8995 -0.0347 4.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6595 0.4077 4.8454 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.4238 6.5460 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6014 1.8546 7.0537 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0017 -0.3124 7.1511 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 -0.3940 6.9555 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3713 0.3123 7.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8937 -0.5458 8.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 0.0943 8.9193 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9567 6.9150 7.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6568 8.1711 7.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2771 7.7816 6.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5536 6.4126 5.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5187 5.3040 6.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4638 7.4123 7.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4327 6.3109 8.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 5.4810 8.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3062 4.2852 8.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1535 6.0032 6.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1864 4.2764 7.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6881 5.9239 4.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2312 4.1886 5.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 3.5084 4.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8906 4.3972 3.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7161 6.4867 3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6918 5.7397 5.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 5.0242 2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5563 5.9045 2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 4.1418 4.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1687 3.0734 3.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7851 2.3073 2.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 3.9704 2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 3.9484 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2051 2.4385 0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 2.4140 2.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 1.1054 1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1837 0.5916 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3944 0.9958 1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 3.2200 0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 1.8915 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 3.9090 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6392 3.6973 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1789 1.6112 -2.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2467 2.9075 -3.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1869 0.4313 -2.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2386 0.8931 -3.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3776 2.4688 -3.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 2.4827 -1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 -0.1022 -3.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 1.0462 -3.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1584 -0.9782 -1.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3586 0.5440 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0361 0.1943 -0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 -1.3294 -1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 -1.5970 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6217 -2.3091 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8614 0.8681 2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1556 0.0168 2.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 -1.6323 3.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8912 -0.7547 -1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3126 -1.2431 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7552 -2.9685 -1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3782 -3.6664 -0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 -2.7540 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3898 -2.3395 -3.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1907 -4.6258 -3.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5074 -6.3213 -4.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1697 -5.3316 -4.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 -4.1068 -2.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2537 -5.9065 -1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 -7.5589 -1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5588 -6.4161 -3.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3878 -7.1747 -2.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -9.3801 -2.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2561 -9.9576 -5.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 -6.8248 -5.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6748 -9.2417 -7.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0798 -7.5448 -8.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1519 -6.6023 -7.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -7.4611 -8.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -6.4498 -7.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 -5.8229 -10.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9034 -5.2258 -9.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9394 -4.3298 -8.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -3.4158 -9.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 -2.6230 -7.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6406 -4.1798 -6.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3849 -2.8285 -8.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -2.4011 -6.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7548 -4.0664 -7.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 0.7266 4.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2162 -0.9730 4.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9252 -1.3119 7.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8986 0.4615 8.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 1.2577 7.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4058 -0.5978 7.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6508 -1.5710 8.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4456 -0.6775 9.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5033 0.7207 8.3868 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 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 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 27 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 20100 1 0 20101 1 0 21102 1 0 21103 1 0 22104 1 0 22105 1 0 23106 1 0 23107 1 0 27108 1 6 28109 1 0 28110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 42126 1 0 43127 1 0 44128 1 0 45129 1 6 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 56144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 M END