HMDB0286056 RDKit 3D PC(18:1(12Z)-O(9S,10R)/16:1(9Z)) 131131 0 0 0 0 0 0 0 0999 V2000 5.6143 5.7136 -9.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 5.2853 -8.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9038 5.9255 -7.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2331 5.6053 -6.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3878 4.0997 -6.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3437 3.6446 -5.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 3.1235 -4.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9411 2.9184 -3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0606 1.4241 -3.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9397 1.1179 -2.6433 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2633 0.8594 -2.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8925 1.6003 -1.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8909 0.7121 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4523 0.3788 0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3748 -0.4458 1.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9181 -0.7604 2.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2202 -1.5734 0.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 -1.8052 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 -2.4684 2.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1067 -2.9040 3.3434 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 -2.5904 2.6028 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3171 -3.1566 3.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 -2.9444 3.2858 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1072 -3.1661 4.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1339 -4.5242 4.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1895 -4.8615 6.0066 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7203 -6.2647 5.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3582 -4.8605 7.5038 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.5025 -3.8196 6.0686 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6346 -4.5175 6.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8682 -3.6670 6.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8149 -2.5842 7.4646 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.0770 -2.4739 8.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7235 -1.3414 6.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7026 -2.5783 8.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4724 -3.6309 2.1029 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 -3.1006 0.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3876 -1.8480 0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9185 -3.9284 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9129 -3.5483 -1.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1911 -4.3693 -2.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4861 -4.1761 -3.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8679 -2.9679 -4.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8589 -1.6266 -3.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3778 -0.5903 -4.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3443 0.7715 -4.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 1.5453 -3.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7252 1.1014 -4.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7118 1.2107 -3.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8287 2.6447 -2.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8054 2.8433 -1.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5442 2.1193 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2493 2.4550 0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9264 6.7534 -9.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4751 5.0517 -9.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0648 5.7627 -10.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6012 5.6626 -9.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 4.1842 -8.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8196 7.0217 -7.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0843 5.5822 -6.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3878 6.1036 -5.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0146 5.9267 -7.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1202 3.6351 -7.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4029 3.7978 -6.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 3.7296 -5.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7078 2.8124 -3.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7727 3.2027 -4.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 3.4842 -2.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9168 0.7786 -4.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5126 -0.2326 -2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4115 2.5390 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9621 1.7848 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4447 -0.2142 -0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3114 1.3060 0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -0.1175 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8762 1.3286 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7774 0.0847 2.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9180 -1.4047 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9902 -1.3776 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 0.1514 2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7064 -2.5866 0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3111 -1.1304 -0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -2.5009 0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1642 -0.8714 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5183 -4.2438 3.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4818 -2.6426 4.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1527 -1.8188 3.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -2.6436 5.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1237 -2.8233 4.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8661 -5.2857 5.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4735 -5.1549 7.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7409 -4.3246 6.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1248 -3.3473 5.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8749 -2.7503 7.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2500 -1.4690 8.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0954 -3.2557 9.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0568 -1.4782 5.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6508 -1.0001 6.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2723 -0.5272 7.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4746 -3.6120 8.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8059 -2.0715 7.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9762 -2.0462 9.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9297 -3.6494 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8988 -4.9967 -0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0772 -3.8633 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9883 -2.4678 -1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -4.3722 -3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1753 -5.4488 -2.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -5.0394 -4.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2803 -4.4815 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -2.9052 -5.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -3.1436 -4.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3808 -1.4249 -2.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7658 -1.3453 -3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2703 -0.9627 -4.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5763 -0.6526 -5.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3662 1.1949 -3.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2876 2.5970 -3.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1279 1.8821 -5.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8583 0.0995 -4.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7130 0.8215 -3.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3172 0.5487 -2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1758 3.2552 -3.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 3.0807 -2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 2.5961 -1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8170 3.9418 -1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3661 2.4263 0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6950 1.0091 -0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 3.2477 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6003 1.5633 0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3709 2.8167 1.4272 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 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 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 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 11 9 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 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 22 85 1 0 22 86 1 0 23 87 1 6 24 88 1 0 24 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 33 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 35102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 M CHG 2 28 -1 32 1 M END