HMDB0271420 RDKit 3D PG(i-15:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 124123 0 0 0 0 0 0 0 0999 V2000 14.4367 4.3695 -1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1564 3.5119 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8309 2.7727 -2.3072 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6185 1.9986 -3.4412 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8508 1.9310 -1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8981 2.0776 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9195 1.2618 1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0642 1.3381 1.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9210 2.1959 2.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5772 3.2333 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5063 3.3179 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3618 2.4337 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 1.1905 1.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3178 0.9182 1.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 1.8084 2.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 1.4975 2.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3415 0.4827 1.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0112 -0.6560 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6166 -1.9715 1.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1286 -2.2064 1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 -2.3525 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 -2.5651 -0.9157 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2811 -2.2529 -0.1604 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2624 -2.3795 -1.4280 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7561 -1.0838 -2.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7328 -0.3955 -1.3809 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7038 0.1425 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -0.0090 0.5618 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8614 0.8880 0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9506 -0.0384 0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0922 0.7375 1.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2380 -0.0801 2.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8572 -0.9179 0.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3304 -0.0752 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3791 0.9687 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5841 0.2937 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7112 1.0670 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5185 1.9947 0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8012 3.1807 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7904 4.1184 -0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8658 4.6169 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9383 5.2724 -1.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 -3.4996 -1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7788 -3.5795 -2.8087 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 -4.6298 -3.2146 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3210 -4.0909 -2.6953 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 -4.4613 -4.9435 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8758 -6.2067 -2.8065 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8755 -6.7023 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0107 -8.2107 -1.8257 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9247 -8.6055 -1.0468 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -8.5238 -1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 -7.7910 0.1621 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4835 4.5555 -0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8277 5.3413 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1957 3.9093 -0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1446 4.1336 -3.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9666 2.7667 -2.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0238 3.5380 -2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4953 2.5261 -4.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5956 1.1852 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1766 2.8042 -0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7506 0.4915 1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2364 0.6106 2.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0624 1.5526 2.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1857 2.7951 3.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3102 4.0961 1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5057 4.2616 -0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3777 2.1327 -0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 3.0742 0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 0.3634 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4072 -0.0789 2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3674 1.9992 3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 2.8583 1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 2.2997 2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2116 0.4790 1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0726 -0.6454 0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5787 -0.8078 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1493 -2.8093 1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 -1.9495 2.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9031 -3.1537 2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5952 -1.4037 2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5967 -2.6713 -2.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1598 -1.3672 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1446 -0.4509 -2.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3015 1.4670 -0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5459 1.6014 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 -0.6574 0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4847 -0.6496 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7529 1.3659 2.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4932 1.4733 0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9988 0.5892 2.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9055 -0.7618 2.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0637 -1.5866 0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6507 -1.5476 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7867 -0.7361 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5035 0.4657 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8992 1.6422 0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5997 1.4919 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2628 -0.4087 1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9739 -0.4153 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3791 1.6699 2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4540 0.3357 1.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3896 2.3312 1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9664 1.3829 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2583 3.7556 0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1438 2.8436 -0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2201 3.5750 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7992 4.0072 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1419 5.6411 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5650 4.6926 1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1790 5.4763 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5804 6.1691 -1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3807 4.9580 -2.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6851 -4.4255 -1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0472 -3.3504 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 -5.2960 -5.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 -6.5173 -2.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 -6.2797 -1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9459 -8.7676 -2.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0847 -8.5195 -0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1917 -8.2670 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -9.5840 -0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0087 -7.9362 0.7061 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 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 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 27 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 40 42 1 0 24 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 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 1 4 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 6 25 84 1 0 25 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 41109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 47117 1 0 49118 1 0 49119 1 0 50120 1 6 51121 1 0 52122 1 0 52123 1 0 53124 1 0 M END