HMDB0286495 RDKit 3D PC(18:1(9Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 141140 0 0 0 0 0 0 0 0999 V2000 10.7264 0.4773 -7.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3226 0.8376 -8.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5783 -0.3388 -8.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4566 -0.7295 -7.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8185 -0.0160 -6.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 0.4467 -7.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3707 0.0921 -6.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3189 -0.8150 -5.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7185 -0.0929 -4.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4346 0.3295 -4.5086 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 -1.0268 -3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 -2.0038 -3.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -2.9406 -1.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 -3.9244 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 -4.1860 -2.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4646 -4.0716 -2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -3.2326 -2.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2511 -2.2518 -3.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -2.5706 -4.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 -1.7245 -4.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3353 -0.3552 -4.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6912 -0.1126 -3.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -0.9899 -2.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2211 -2.1982 -2.6842 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6412 -0.4826 -1.3615 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7523 -1.0947 -0.1313 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7386 -0.4131 0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4099 0.9040 1.1189 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3117 1.9736 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 1.7935 -0.9481 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9365 3.3463 0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6363 4.2197 -0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4984 3.7084 -1.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2274 3.7074 -0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0801 3.1517 -1.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2659 3.1339 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 2.4926 0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 3.1911 1.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 3.7618 2.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1697 3.7154 2.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7754 3.0550 4.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4414 3.8112 5.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 3.1749 6.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6216 1.8090 6.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2415 1.4745 7.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1313 1.6768 6.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1406 1.1792 7.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3853 -1.2188 0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -1.8457 1.7795 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2627 -2.0832 2.7071 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4174 -3.2414 2.2003 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 -0.6738 2.6502 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.6825 -2.3661 4.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5142 -3.7110 4.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8649 -4.0441 6.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0735 -3.3446 7.0005 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.9442 -2.4229 7.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 -4.2286 7.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9977 -2.5689 6.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1134 1.3743 -7.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6271 -0.4075 -6.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3554 0.2554 -8.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5197 1.4855 -8.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8713 1.5031 -7.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9931 -0.9320 -9.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9361 -1.6302 -8.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 0.8702 -6.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7773 -0.6935 -5.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4039 1.1471 -8.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4243 0.5346 -6.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5595 -1.6179 -5.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2469 -1.2992 -5.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3835 0.7663 -3.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 0.6093 -3.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.9802 -2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -2.0960 -3.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5717 -2.7965 -1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0566 -4.5616 -0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9515 -3.6626 -3.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -5.3187 -2.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6791 -4.7647 -1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3448 -3.2744 -1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -1.2254 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2873 -2.4170 -4.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 -3.6076 -5.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9704 -2.0569 -5.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5848 -0.0516 -3.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3252 0.3766 -5.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 -0.3840 -4.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8385 0.9440 -3.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0885 -2.1363 -0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6988 -1.0299 1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7524 -0.5566 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8807 3.7928 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2062 3.3813 1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5408 4.2214 -1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4745 5.2378 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6064 2.6884 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2966 4.4395 -2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5693 3.0497 0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0011 4.6922 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 2.1607 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 3.8158 -2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 4.2226 -0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9935 2.6775 -1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 2.3415 0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 1.4003 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0683 3.2712 1.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1564 4.2537 3.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6722 3.2730 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5079 4.8102 2.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8669 2.9962 3.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4065 2.0228 4.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4405 4.1870 5.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0681 4.7778 5.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 3.9084 7.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1486 3.1818 6.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2504 1.5086 7.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0644 1.1025 6.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 1.9429 8.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2276 0.3614 7.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 2.6893 5.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1648 1.0666 5.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 0.2280 7.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4426 1.9882 7.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9757 1.0681 6.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9705 -0.1958 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 -1.8159 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -4.0785 4.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2739 -4.2524 3.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 -5.1367 6.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 -3.8609 6.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 -2.7984 7.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 -1.4466 7.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5282 -2.2922 8.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6574 -3.6713 8.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 -4.5101 8.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0126 -5.1128 7.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 -3.1298 5.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 -2.3451 7.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3402 -1.5972 6.0372 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 2 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 45 46 1 0 46 47 1 0 26 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 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 6 27 92 1 0 27 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 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 52 -1 56 1 M END