HMDB0285810 RDKit 3D PC(15:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) 132131 0 0 0 0 0 0 0 0999 V2000 -4.3476 -5.7576 -3.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8533 -4.5888 -4.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3279 -4.5287 -4.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8831 -3.3596 -5.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3516 -3.2388 -5.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0531 -2.0718 -5.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 -1.0409 -5.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1688 -0.9419 -4.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5624 0.2647 -3.4438 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8657 1.4396 -4.1651 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1707 0.4505 -2.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2354 1.2723 -1.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7955 1.4263 -0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8273 2.2062 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4544 2.9523 -1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4114 4.4083 -1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7814 5.2306 -2.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0541 4.8915 -3.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6137 5.2337 -3.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 4.6620 -2.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 5.0738 -0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 6.0753 -0.6296 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3447 4.3941 0.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 4.8560 1.4694 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2987 3.9483 2.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7293 2.6809 2.5869 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 1.8586 3.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5373 2.2842 3.9685 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 0.5004 3.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 -0.2569 4.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3162 -0.5096 4.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2297 -1.3805 2.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5686 -1.5645 2.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 -2.3663 1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3752 -3.7525 0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0614 -4.4122 0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 -4.0658 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -2.8064 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -2.7352 0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -3.0305 2.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4103 -2.8437 2.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 -3.1256 3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 5.2028 1.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6038 4.0223 1.9581 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1471 4.3742 2.5402 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1834 4.1324 4.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4911 6.0332 2.2950 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.3170 3.4071 1.8105 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 2.8239 2.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1718 1.9292 2.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1307 2.5574 1.4350 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.5240 3.8726 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6287 2.6191 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3557 1.7533 1.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2031 -6.7297 -3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4393 -5.5892 -3.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8614 -5.6947 -2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2997 -3.6632 -3.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2558 -4.6780 -5.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 -4.5674 -3.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0034 -5.4717 -4.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2916 -3.4718 -6.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -2.4165 -4.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 -3.2496 -4.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0267 -4.1367 -5.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4372 -2.0858 -6.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8233 -0.1839 -6.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2657 -0.6482 -4.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1865 -1.8330 -3.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5187 0.1804 -3.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6062 1.2030 -4.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7616 -0.0683 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5487 1.7266 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3612 0.8856 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2581 2.3239 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 2.6413 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5873 2.7064 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9096 4.7951 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 6.3016 -1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 5.5345 -4.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 3.8623 -3.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2369 4.8571 -4.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5057 6.3452 -3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 3.5572 -2.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3383 5.0424 -2.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1373 5.8255 1.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 4.4108 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 3.8175 2.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0635 0.5945 4.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 -0.0800 2.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5113 -1.2667 4.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 0.2714 5.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7711 0.4241 3.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0219 -0.9769 4.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8275 -2.3625 3.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -0.9847 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9528 -0.5016 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -1.8930 3.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3353 -1.7343 0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8632 -2.3083 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8537 -4.1198 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0941 -4.3636 1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 -4.3717 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2632 -5.5301 0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -4.9446 -0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7791 -4.1663 -1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -1.9009 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0807 -2.6380 -1.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -3.4642 0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -1.7002 0.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2721 -4.1314 2.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -2.3975 2.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 -3.5234 1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6714 -1.7963 2.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8643 -2.2235 4.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6713 -3.5643 4.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4076 -3.8676 4.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2964 5.8862 1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7962 5.6237 3.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4439 3.5755 3.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3873 2.1631 3.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6904 1.0855 1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7203 1.5372 3.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7379 3.8482 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8436 4.6742 1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5064 4.0879 1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7676 3.3101 -0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3394 1.5814 -0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4552 2.9168 -0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8288 1.8019 0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0842 2.0418 2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0741 0.6836 1.5571 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 1 0 9 11 1 0 11 12 2 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 41 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 51 52 1 0 51 53 1 0 51 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 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 1 10 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 52124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 M CHG 2 47 -1 51 1 M END