HMDB0289709 RDKit 3D PC(P-18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) 140139 0 0 0 0 0 0 0 0999 V2000 2.5795 -2.1207 -1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6203 -3.1770 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6612 -4.2491 -0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 -4.5745 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 -3.9036 1.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6704 -4.9615 2.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -5.3714 3.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 -4.8862 3.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8205 -4.4128 5.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1886 -3.2250 5.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -2.1295 4.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -0.9774 4.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9912 0.1806 5.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3434 0.5445 5.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0588 1.5879 4.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6858 2.3176 3.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4248 2.2181 3.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1467 3.0553 2.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 4.0854 1.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7233 5.2951 2.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8271 4.3670 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4471 4.8169 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3354 5.1030 -1.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2436 6.2721 -2.1739 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3316 4.0679 -2.6668 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 4.2885 -4.0488 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5635 4.0439 -4.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 2.8090 -4.5365 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6978 1.5758 -4.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6303 0.6286 -5.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3153 -0.7419 -5.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 -1.7242 -4.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0049 -1.4999 -3.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -2.4682 -2.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8649 -2.5142 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8331 -1.3552 0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 -0.1398 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5974 -0.4536 -0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 0.7392 -0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1987 1.1494 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 0.5191 1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7044 1.4753 2.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 0.8173 3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 0.3652 3.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 1.5687 3.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9431 1.0693 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 3.6771 -4.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0967 3.9399 -6.1125 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2494 3.2158 -6.8479 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0570 4.2648 -7.5706 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7841 2.0508 -7.9858 O 0 0 0 0 0 1 0 0 0 0 0 0 2.2397 2.5044 -5.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1106 1.5608 -6.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9186 1.0130 -5.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 0.0209 -5.4828 N 0 0 0 0 0 4 0 0 0 0 0 0 5.4954 -0.4829 -4.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9116 0.6075 -6.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3243 -1.1042 -6.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5732 -1.8990 -1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0074 -1.1989 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1498 -2.4633 -2.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6949 -3.5479 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4308 -2.6477 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7683 -4.8116 -1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 -5.4037 0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5711 -3.5915 1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1725 -3.1049 1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6936 -5.3966 2.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 -6.1787 4.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8313 -4.1442 2.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2546 -5.8295 3.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 -5.1201 5.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 -2.9678 6.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 -1.8568 4.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 -2.4526 3.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5152 -1.1373 4.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2023 0.9373 5.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3201 0.8439 6.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 -0.3227 5.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1117 1.7835 5.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4201 3.0677 3.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6198 1.5299 3.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1631 2.9574 1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1007 3.9171 1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 5.2543 2.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 3.4969 -0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 5.1756 -0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 5.7583 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 3.9837 -0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0887 5.4329 -4.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 4.3182 -5.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3188 4.8079 -4.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6695 1.3165 -5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6475 0.8917 -4.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2533 -0.8761 -5.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9045 -0.9583 -6.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4777 -2.7553 -4.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8356 -1.6325 -4.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3593 -0.4706 -2.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 -1.4795 -3.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 -3.5011 -2.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6136 -2.4547 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4297 -3.3613 -0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8401 -3.0128 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9202 -1.0823 0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 -1.6846 1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 0.4838 0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 0.5063 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -1.0943 -1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1591 -1.0147 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0648 1.3690 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7544 2.0741 -0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1686 -0.3447 1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 0.1671 0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 2.4067 2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6365 1.7538 2.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 1.5464 4.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 -0.0423 3.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0485 -0.1045 4.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6899 -0.4159 2.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 2.2784 3.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1738 2.0747 2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3598 0.8278 3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 0.1142 2.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 1.8730 2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1423 2.6280 -4.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9076 4.2003 -4.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 0.7186 -6.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7117 2.0183 -7.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 0.5824 -4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4277 1.8561 -4.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0475 -1.4583 -3.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3402 0.2183 -3.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5788 -0.6359 -4.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5412 1.2944 -5.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5895 -0.2217 -6.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5475 1.1431 -7.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6992 -1.7477 -5.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -1.7624 -6.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.8538 -7.1089 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 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 2 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 26 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 26 90 1 1 27 91 1 0 27 92 1 0 29 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 56132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 58140 1 0 M CHG 2 51 -1 55 1 M END