HMDB0287614 RDKit 3D PC(18:1(9Z)-O(12,13)/20:4(8Z,11Z,14Z,17Z)) 137137 0 0 0 0 0 0 0 0999 V2000 -2.6254 -4.8674 7.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9982 -4.1769 7.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -2.8789 7.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5317 -2.4432 5.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5473 -3.0817 5.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0742 -4.3812 5.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0059 -5.4493 4.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 -5.5112 3.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2849 -6.5012 3.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0349 -6.2452 3.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5427 -4.9230 2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8844 -5.0151 1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -4.2923 0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3706 -3.3162 0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8751 -1.9129 0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0235 -0.9411 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6371 0.4561 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1359 0.6845 -1.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 2.1247 -1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 2.6061 -2.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 3.3154 -3.4833 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0808 2.3830 -3.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 2.9844 -4.6945 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6660 1.9747 -5.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5424 1.2418 -5.5457 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 0.2782 -6.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 0.1404 -7.4534 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0783 -0.5480 -6.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0258 -0.4969 -5.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3676 -0.9509 -4.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 -0.9285 -2.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8884 -1.3921 -1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 -2.7895 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9006 -3.3459 -0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -2.5651 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9416 -2.0377 1.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1355 -2.2253 2.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 -1.0259 2.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1761 -0.1543 3.6322 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 0.3125 2.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 1.0306 1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 2.5024 1.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2232 3.2653 0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9826 2.7496 -0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2283 2.7219 -1.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2985 3.9463 -4.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 4.5674 -5.8488 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8436 5.6420 -5.7473 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0613 4.9574 -6.2948 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5652 7.0102 -6.7202 O 0 0 0 0 0 1 0 0 0 0 0 0 2.1163 6.1192 -4.1284 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 7.4227 -4.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 7.9411 -2.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 7.1947 -1.9631 N 0 0 0 0 0 4 0 0 0 0 0 0 4.7341 8.0602 -1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 6.2578 -2.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0828 6.4282 -0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4527 -5.3038 6.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 -5.5949 8.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8718 -4.0664 7.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0942 -3.9661 8.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7955 -4.8471 7.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1392 -2.1693 7.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2887 -1.3718 5.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4225 -2.2938 5.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2493 -2.9929 4.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6709 -4.5072 6.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4637 -6.3952 5.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1211 -4.5433 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1419 -5.9385 2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6086 -7.5375 3.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2454 -7.0392 3.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1759 -4.0677 3.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6688 -4.7153 3.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 -5.7255 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7135 -4.4500 -0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0498 -3.3093 1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0169 -3.5898 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4991 -1.9430 -0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1017 -1.5615 0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 -1.2972 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3674 -0.9478 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5481 1.0966 0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8765 0.8257 0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 0.0853 -1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 0.3917 -2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6634 2.7180 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0049 2.3277 -0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 3.5983 -4.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 2.4798 -6.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4853 1.2214 -5.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6451 -0.3528 -7.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 -1.6325 -6.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8786 -1.2087 -5.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4566 0.5257 -5.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5131 -0.2750 -3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 -1.9572 -4.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 -1.6283 -3.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8793 0.0750 -2.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 -0.6781 -1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -1.3131 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.7904 -2.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 -3.4327 -2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8194 -3.5700 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4922 -4.3913 -0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 -2.4094 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0597 -1.4845 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -2.9812 1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7409 -2.6948 3.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 -1.3497 3.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 0.9884 2.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8097 1.1264 2.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 0.6257 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 2.5974 0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 2.9313 2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2567 3.4225 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6406 4.3061 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3133 3.5217 -1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3925 1.8186 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4066 3.6505 -2.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1113 2.5472 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0925 1.9120 -2.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1947 3.3448 -4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 4.6730 -3.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 8.0623 -4.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4921 7.5448 -4.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2827 8.9815 -2.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 8.0120 -2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3455 7.4021 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3991 8.6396 -1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1436 8.7367 -0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9303 6.5995 -3.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 6.1031 -2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 5.2600 -2.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 5.5142 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 6.0705 -1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 7.0638 -0.1050 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 2 0 10 11 1 0 11 12 1 0 12 13 2 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 1 0 20 21 2 0 20 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 28 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 2 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 23 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 40 38 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 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 6 24 90 1 0 24 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 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 45122 1 0 46123 1 0 46124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 55129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M CHG 2 50 -1 54 1 M END