HMDB0286271 RDKit 3D PC(18:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 139138 0 0 0 0 0 0 0 0999 V2000 1.4547 1.3926 7.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 -0.0698 7.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 -0.8852 6.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2673 -1.6757 5.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 -1.8133 5.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6896 -1.3764 3.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 -2.0833 2.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4451 -3.4897 2.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 -3.6964 2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 -2.9381 3.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 -3.3537 1.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1943 -2.0859 0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2659 -1.7689 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 -0.5470 -1.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 0.5934 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 1.7438 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8175 1.9738 -1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 1.1108 -2.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2571 1.8738 -3.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8171 1.2432 -4.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 0.7406 -4.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3631 0.3780 -6.1871 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3484 0.5253 -4.2136 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7942 -0.0131 -4.8501 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9417 0.9232 -4.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 1.3059 -3.7537 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 1.9886 -2.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1067 2.4121 -2.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3936 2.2038 -1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1661 3.4049 -2.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3607 4.6803 -2.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 5.1698 -0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3996 6.3828 -0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 6.0523 -0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 5.1926 0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9605 4.8162 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 4.0634 1.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7402 2.8264 1.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 1.7550 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.5736 1.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -0.4780 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8443 -1.7218 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2313 -1.8225 1.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6576 -1.2199 2.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8878 -1.7817 3.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -1.3678 -4.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 -1.5881 -3.1196 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9865 -3.2294 -2.9367 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7211 -4.0840 -2.9829 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9051 -3.6969 -4.3022 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.8451 -3.5702 -1.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1785 -3.7182 -1.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0517 -4.0874 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7354 -5.3278 -0.0486 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.3935 -5.7996 -0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -5.1456 1.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7129 -6.3680 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 1.4139 7.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 2.0010 8.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 1.7909 6.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 -0.1154 7.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -0.2898 8.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -0.8227 7.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -2.2305 5.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4097 -1.2506 5.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9357 -2.8749 5.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3881 -0.3351 3.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0047 -1.6314 1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.1271 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 -3.8955 3.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1295 -4.7548 2.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7981 -3.2813 4.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7922 -4.0593 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3274 -1.3835 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1111 -2.5694 -1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5898 -0.4084 -2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8861 0.2788 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7924 1.0349 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1246 2.5750 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2999 2.9507 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4397 0.0801 -2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 1.1441 -1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 2.1249 -3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 2.8752 -3.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 0.3858 -4.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 1.9552 -5.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5477 -0.1333 -5.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 0.5014 -5.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 1.8488 -5.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0372 1.3330 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9874 2.4668 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0851 3.4818 -1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4430 3.1400 -3.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8751 5.4224 -2.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 4.5201 -2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3248 5.5473 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0417 4.3738 0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6949 7.0860 -1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 6.8045 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 5.6078 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 7.0113 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1398 4.3279 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5892 5.8480 1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5521 5.7776 0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 4.3105 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4624 4.7594 2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 3.8013 1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 3.0784 2.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 2.3896 2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 1.3506 0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3021 2.0042 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2791 0.3031 2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 0.9701 1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6229 -0.0740 -0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9081 -0.6506 -0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6902 -2.4199 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2359 -2.3197 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9081 -1.3522 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 -2.9028 1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8375 -0.1737 2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7136 -1.6797 2.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -2.9040 3.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9068 -1.3014 3.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4662 -1.6920 4.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4911 -2.1719 -4.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1428 -1.6466 -5.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5458 -2.7421 -2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3691 -4.4621 -2.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1481 -3.3017 0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0966 -4.1987 -1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2341 -5.8530 -1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6711 -5.1626 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2912 -6.8143 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7267 -4.8231 1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4285 -4.2883 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0562 -6.0706 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5882 -7.1292 0.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7068 -5.9095 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4828 -6.8449 -1.3303 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 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 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 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 12 74 1 0 13 75 1 0 14 76 1 0 15 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 6 25 88 1 0 25 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 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 50 -1 54 1 M END