HMDB0262087 RDKit 3D PE(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/20:2(11Z,14Z)) 132131 0 0 0 0 0 0 0 0999 V2000 14.2227 -0.4613 -1.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9273 0.6225 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5419 1.1621 -1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2751 1.7787 -2.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8095 2.2767 -2.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8117 3.2261 -1.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0983 3.1032 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1724 1.9687 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5829 1.2088 1.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8638 1.0433 2.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5213 1.5858 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4897 0.4931 2.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1369 1.0372 2.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4675 1.8654 1.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 1.3892 0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2054 0.9900 -0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9086 0.5464 -1.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 -0.6778 -1.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8436 -0.8087 -1.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0616 -2.0094 -1.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4456 -2.6342 -2.7762 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -2.3179 -1.0857 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 -3.3274 -1.3327 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3496 -2.7439 -1.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7232 -2.1070 -0.2329 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 -0.9940 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.3785 -0.2642 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6212 -0.4129 1.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -0.6413 1.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0082 -0.0321 0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7745 1.4215 0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5763 2.3973 1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9256 2.3857 1.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5658 1.1408 1.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6571 0.6844 1.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4089 1.3550 0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7690 1.6309 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3308 2.8041 0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7295 4.0443 0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2657 4.9040 -0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2855 4.6798 -1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1393 3.5385 -1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1834 3.4424 -2.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0620 2.2555 -2.0506 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.5740 1.2375 -1.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.4170 2.6923 -1.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3740 1.5031 -1.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0099 -4.3425 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 -4.9166 0.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2858 -6.0242 1.2809 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4360 -5.2344 2.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -6.9674 1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0676 -6.9910 1.4354 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2039 -8.3309 1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -9.1425 1.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1055 -8.7222 0.4715 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4622 -0.0302 -2.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3365 -1.1280 -2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0741 -1.0517 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0240 0.2745 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6340 1.4739 -1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8126 0.3637 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3577 1.9689 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3931 1.0715 -3.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8864 2.6822 -2.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6694 2.8079 -3.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2181 1.3814 -2.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4728 4.1168 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1852 3.8863 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1670 2.4216 0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0776 1.2707 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5807 0.7490 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2866 0.4563 3.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5846 2.2559 3.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1768 2.1247 1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8508 0.0847 3.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6724 -0.3486 2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4722 0.1279 3.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1465 1.5521 3.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0007 2.8581 1.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 2.2116 2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 2.2730 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2613 0.6614 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9117 0.2596 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 1.9121 -0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9449 0.4720 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4534 1.3893 -2.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 -1.6155 -1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 -0.6764 -3.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 -1.1588 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2463 0.1067 -1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 -3.8528 -2.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -3.5152 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3687 -1.9487 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 -0.9470 2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3225 0.6596 1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 -1.7616 1.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3242 -0.3725 2.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9957 -0.3916 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 -0.4950 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7661 1.7304 0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1475 3.4246 0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8618 3.0508 2.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5794 3.0369 0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0839 0.5557 2.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0575 -0.2860 1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9244 2.1720 -0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5887 0.5370 -0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3188 0.7407 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3490 2.8148 1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6162 4.6851 1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6161 3.9199 0.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6999 5.8941 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5423 5.4806 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0067 2.6778 -0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3674 4.2640 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2332 1.8171 -3.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1486 1.0371 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8371 3.5440 -2.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2752 3.0203 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0680 0.7848 -2.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3636 1.0461 -0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3964 1.8680 -1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2892 -3.7688 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8021 -5.0435 -0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9853 -6.9450 0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0797 -8.7334 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4278 -8.3663 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7994 -10.2046 1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 -9.0813 2.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9649 -8.6127 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -7.8367 -0.0180 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 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 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 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 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 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 6 24 93 1 0 24 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 41114 1 0 42115 1 0 43116 1 0 44117 1 6 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 52126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 M END