HMDB0007986 RDKit 3D PC(16:0/22:1(13Z)) 146145 0 0 0 0 0 0 0 0999 V2000 -2.4221 5.6532 -7.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4541 4.9224 -8.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9214 3.6865 -7.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 2.9603 -8.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 1.7388 -7.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 2.0724 -6.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 2.9891 -6.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2261 3.3088 -5.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 2.0629 -4.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2573 1.6587 -3.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 2.3937 -2.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 2.6584 -1.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1293 3.4798 -0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8983 3.6506 0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0866 4.5075 1.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4691 4.8098 2.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7543 5.4133 3.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 4.6844 3.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1432 3.3906 3.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4257 2.6588 3.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4610 1.3869 4.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3027 0.5332 4.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2293 0.6848 4.7152 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2949 -0.4670 3.1129 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 -1.2584 2.8647 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3551 -2.7287 3.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 -3.3859 2.8101 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9407 -3.2126 3.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8756 -2.3933 4.3908 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -3.9584 3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4198 -3.5103 3.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7354 -4.2043 3.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8417 -3.7517 4.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1613 -4.3740 4.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6517 -4.0370 2.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9991 -4.6922 2.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5347 -4.3732 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6082 -4.8722 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2947 -4.5054 -1.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6577 -4.9165 -2.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -4.3877 -2.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 -4.6266 -1.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8063 -6.0796 -1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5516 -6.0606 -0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7137 -1.0518 1.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5791 -1.8246 1.1512 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -1.6924 -0.4096 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5289 -3.0742 -0.8403 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2263 -1.2580 -1.5005 O 0 0 0 0 0 1 0 0 0 0 0 0 0.7081 -0.6569 -0.5589 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4622 -1.3070 -0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -0.3614 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9346 0.3923 0.1678 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.1499 0.0336 1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 1.8400 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3303 0.1336 0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5304 5.0903 -6.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3961 5.8281 -7.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9795 6.6561 -7.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5795 5.5717 -8.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 4.6355 -9.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 4.0401 -6.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 2.9949 -7.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5401 2.7007 -9.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8474 3.6470 -8.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 1.2448 -8.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 1.0036 -7.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 2.5780 -5.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7072 1.1476 -5.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 2.4331 -7.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 3.9289 -7.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5443 3.9532 -4.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1387 3.9240 -5.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3857 1.4293 -5.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 0.6944 -3.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4527 1.7132 -2.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 3.3383 -3.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9866 3.1320 -1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 1.6403 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 2.9080 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8753 4.4528 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0728 2.6193 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 4.1773 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0286 4.1062 1.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 5.4869 1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6695 5.5680 3.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1813 3.9570 3.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7262 5.6861 4.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 6.4323 2.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2563 4.5590 2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8826 5.3160 3.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3295 2.6717 3.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1067 3.5563 4.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2793 3.3039 3.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5598 2.4239 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4056 0.8516 4.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5112 1.6873 5.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -0.8862 3.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6003 -2.8470 4.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2093 -3.1229 2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4532 -3.6959 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8639 -5.0303 3.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1548 -3.7255 4.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 -2.4385 3.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5757 -5.3004 3.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9894 -3.8683 2.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -2.6282 4.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5084 -3.9410 5.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -4.0347 4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1072 -5.4858 4.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7351 -2.9463 2.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8942 -4.4154 2.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7167 -4.3400 3.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9165 -5.7964 2.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5448 -4.8140 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6088 -3.2658 1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4343 -5.9432 0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6688 -4.3466 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4038 -3.3661 -1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3755 -4.8691 -1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6912 -6.0550 -2.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4230 -4.6451 -3.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0998 -4.6691 -3.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -3.2519 -2.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -4.2841 -2.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9792 -4.0468 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5914 -6.6129 -1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5681 -6.6077 -2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4439 -6.9659 -0.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 -5.1827 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7061 -5.8535 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5606 -1.2983 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3996 0.0091 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6497 -2.1217 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3196 -1.7719 -1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 -0.8734 -1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3277 0.3888 -1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1106 -1.0403 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1665 0.5390 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6447 0.4729 2.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 2.3508 0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7904 2.1577 -0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0113 2.0523 -0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9834 0.0693 -0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6689 0.9273 1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3613 -0.8447 1.0626 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 1 0 7 8 1 0 8 9 1 0 9 10 2 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 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 25 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 1 26 99 1 0 26100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 54138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 56146 1 0 M CHG 2 49 -1 53 1 M END