HMDB0261626 RDKit 3D PE(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,13E)-OH(15S)) 126125 0 0 0 0 0 0 0 0999 V2000 0.8156 -2.2022 -1.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 -3.2917 -0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 -2.7583 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7423 -2.6858 1.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7048 -3.1551 2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 -4.2310 3.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1888 -4.0782 4.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 -2.9232 5.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6769 -3.2107 6.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4737 -2.6044 6.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 -1.5370 5.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 -0.2690 5.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7174 0.8592 5.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6764 1.2374 3.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 1.6652 4.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6538 2.0307 3.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2725 3.1811 2.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 3.3840 1.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 2.5636 1.7256 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 4.4178 0.8392 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5486 4.5479 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 3.4397 -1.0675 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9450 3.6099 -1.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9971 4.7641 -2.5749 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4879 4.8586 -3.3615 P 0 0 0 0 0 5 0 0 0 0 0 0 6.4994 6.1353 -4.1696 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7151 4.9852 -2.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 3.5154 -4.3251 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 3.5500 -5.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3950 2.3167 -6.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 2.3095 -7.5764 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 3.3889 -1.9478 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7113 2.3019 -2.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9619 1.3607 -1.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 2.3566 -3.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2837 1.1750 -2.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0046 1.1135 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8262 2.3060 -1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1174 2.3756 -1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9801 1.1789 -1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 1.0161 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 1.0120 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8896 1.1684 -1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7794 0.1328 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9599 -1.0782 -1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2293 -1.6441 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4994 -2.9125 0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7609 -3.5315 1.4379 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4236 -4.6715 1.7828 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3024 -3.6522 1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9234 -4.4746 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3687 -5.8969 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9364 -6.6546 -1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 -8.0942 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6419 -1.5367 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 -1.5955 -1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -2.6242 -2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 -3.7319 -0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7754 -4.0987 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4087 -2.3881 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6611 -2.2689 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -3.5897 1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2102 -2.3204 2.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5393 -5.1490 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5695 -4.9382 4.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 -2.0296 4.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 -2.7096 5.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8693 -3.9789 6.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -2.9457 6.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2508 -1.3753 4.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8835 -1.8861 4.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -0.4859 6.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3452 0.0669 6.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7956 1.7542 5.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7047 0.6925 4.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0838 2.1360 3.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5112 0.3926 3.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4914 2.5482 5.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0886 0.8731 5.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 2.3544 4.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 1.1908 2.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3363 2.9569 2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 4.0890 3.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5985 5.5568 -0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4717 4.4515 0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6835 2.4822 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1496 2.7467 -2.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8240 3.6541 -1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7271 4.1053 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2716 4.4685 -6.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9825 3.4951 -5.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 1.4229 -5.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4836 2.2285 -6.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 1.4098 -7.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9331 3.0431 -7.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 2.4488 -4.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 3.2977 -2.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 0.2255 -3.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 1.1802 -3.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 0.1443 -1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2335 1.1143 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 3.2793 -1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5942 3.3400 -1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3127 0.2728 -1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5538 1.2094 -2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1105 0.8963 0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 0.9221 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3387 1.6471 -1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5736 2.1170 -0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4412 0.3989 -2.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7282 -1.7225 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4623 -1.2039 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2497 -3.4441 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8686 -2.8186 2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8753 -5.1712 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8022 -4.0537 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9352 -2.6061 0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2724 -3.9851 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8016 -4.4589 -0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4484 -6.0445 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8428 -6.3691 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4388 -6.1784 -2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8567 -6.5534 -1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5368 -8.3743 -0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4106 -8.1471 -1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6741 -8.7546 -1.6194 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 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 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 1 23 87 1 0 23 88 1 0 27 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 45111 1 0 46112 1 0 47113 1 0 48114 1 1 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 54126 1 0 M END