HMDB0285372 RDKit 3D PE(P-18:0/20:3(6,8,11)-OH(5)) 133132 0 0 0 0 0 0 0 0999 V2000 -16.4224 0.1499 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6272 0.8187 0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2994 2.2565 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9757 2.7733 0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7760 2.4137 1.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3011 0.9941 1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9388 0.6467 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4316 -0.7392 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1238 -0.9349 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3835 -0.0241 0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0561 -0.4171 1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9683 0.3225 0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9653 -0.2224 0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9392 0.5673 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9087 0.0926 -1.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 0.9959 -1.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5469 2.0361 -2.3978 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0818 1.6112 -0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0659 2.5728 -1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0906 2.0109 -2.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 0.9781 -1.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 1.3243 -1.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 -0.4006 -1.6639 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6244 -1.2851 -1.1766 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9806 -2.1995 -2.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -3.0339 -1.9401 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 -2.3683 -1.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -1.1688 -2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 -0.3739 -1.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7838 -1.0402 -1.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8919 0.0214 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0717 -0.4837 -0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1323 0.6167 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5647 1.1219 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6123 2.1586 -1.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4860 3.4529 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7028 3.8182 0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3005 3.4580 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5262 2.2104 2.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9468 1.7847 2.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6951 1.4288 1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1434 1.0152 1.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8433 0.6784 0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1211 -0.4575 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 -2.1625 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -3.0009 -0.3741 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 -3.9640 0.9135 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6506 -3.4145 2.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 -3.8421 1.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -5.5710 0.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 -5.8107 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5229 -7.2829 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8213 -7.8466 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.3368 -0.3776 -0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6382 -0.6326 -0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1748 0.8795 -1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2392 0.2231 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7811 0.7255 1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0675 2.7518 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6316 2.7249 1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7008 2.6166 -0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0283 3.9254 0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9144 3.0119 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8259 2.8039 2.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4716 0.9116 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0571 0.2563 1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0837 1.3362 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7515 0.8570 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3211 -1.0224 -1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1677 -1.4853 0.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7291 -1.9824 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6369 1.0070 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0559 -0.1415 2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8661 -1.4849 1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9713 1.4234 0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9091 -1.2934 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9783 1.6729 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7965 -0.9700 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 0.4749 -2.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3968 1.7846 -2.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5913 0.8679 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 2.2050 0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6243 3.3812 -1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 3.0426 -0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6461 1.6766 -3.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4649 2.8620 -2.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -0.6934 -0.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1011 -2.9069 -2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0778 -1.7294 -3.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9619 -2.8597 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7481 -0.7539 -2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4136 0.5573 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1949 0.0212 -2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4493 -1.2811 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1621 -1.9705 -1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1827 0.1938 -1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4076 0.8983 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7358 -0.7837 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 -1.3698 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9756 0.1819 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6469 1.3991 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9113 0.2290 -1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6945 1.5028 -1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6429 1.6992 -1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7198 2.4042 -2.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0557 4.2574 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3964 3.8486 -1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8465 4.1157 0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3626 5.0222 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6599 4.3026 2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1571 3.7204 1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1766 2.5084 3.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8659 1.3564 2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9191 0.8430 3.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5366 2.5198 3.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2664 0.4825 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7529 2.1537 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6407 1.8996 2.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1743 0.1824 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9102 1.5724 -0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8808 0.3547 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1715 -0.1839 -0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8468 -0.8699 -0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0153 -1.2724 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0138 -1.6133 0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0422 -2.8350 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4309 -4.7480 1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0731 -5.2212 0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -5.5004 -1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 -7.3508 -0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2836 -7.8269 -0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 -8.2784 1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6263 -8.4954 1.0696 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 2 0 10 11 1 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 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 1 25 88 1 0 25 89 1 0 27 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 49127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 M END