HMDB0285868 RDKit 3D PC(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) 134133 0 0 0 0 0 0 0 0999 V2000 -5.8121 0.3867 -3.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 -0.6929 -2.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4362 -0.7721 -2.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9738 -0.5546 -1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3644 -0.1640 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9545 0.1053 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1384 -0.6004 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6133 -1.7293 1.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9634 -3.0148 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2604 -3.7386 2.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9674 -3.4751 3.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -4.6423 4.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2302 -4.6862 5.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0126 -3.6356 5.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0549 -2.3024 5.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6016 -1.2415 5.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9993 -1.2797 7.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5322 -0.2327 7.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 1.1131 7.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7615 1.4022 6.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 1.5474 6.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0138 0.7377 5.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 1.1645 4.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9245 2.3335 4.1333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 0.4774 4.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 1.0451 3.5902 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5904 0.0907 2.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4257 0.2892 1.4456 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 0.4559 1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 0.4532 2.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0776 0.6315 -0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 -0.7413 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -1.0141 -2.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -0.6823 -3.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1665 -1.1647 -4.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2153 -0.9631 -5.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9143 0.4857 -5.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 0.6150 -7.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6169 2.0445 -7.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8699 2.7425 -7.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5536 4.1773 -8.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7642 4.8828 -8.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 4.9165 -7.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 5.6296 -8.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 1.2273 4.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0362 -0.0118 4.9347 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 0.1533 5.9482 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8044 0.1872 7.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1886 1.5930 5.7222 O 0 0 0 0 0 1 0 0 0 0 0 0 4.3636 -1.2067 5.8937 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 -1.5961 4.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6206 -2.8224 4.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0054 -3.2202 3.3111 N 0 0 0 0 0 4 0 0 0 0 0 0 6.3387 -2.0729 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.8862 2.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 -4.1873 3.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7457 0.7126 -3.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4145 1.2933 -3.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9225 0.0114 -4.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3228 -0.5925 -1.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7804 -1.6612 -3.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1135 -1.0622 -3.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0983 -0.6904 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7975 -0.7250 0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8645 0.8818 0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4957 0.9763 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0609 -0.3924 0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6658 -1.9271 1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3134 -1.4338 2.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1037 -3.3427 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 -4.6728 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 -3.4040 3.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3094 -2.5148 3.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8814 -5.6293 3.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3719 -5.7444 5.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9472 -3.6625 7.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1248 -4.0121 5.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5527 -2.1629 4.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7238 -0.2951 5.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9121 -2.2579 7.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0967 -0.4408 8.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5311 1.7958 8.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1134 2.2563 7.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 2.5901 6.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4659 1.6293 7.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8442 0.6870 4.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8255 -0.3297 5.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 2.0429 3.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6826 -0.9549 2.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4669 -0.0165 1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2662 1.1727 -0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0231 1.2175 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -1.3991 -0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2621 -1.0946 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6305 -0.5326 -2.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8827 -2.1135 -2.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 0.4168 -3.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -1.1765 -3.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0945 -0.5888 -4.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 -2.2227 -4.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6938 -1.3856 -6.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 -1.5606 -5.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8176 1.0411 -6.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 0.8694 -5.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 0.1737 -6.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 0.0233 -7.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1809 2.0351 -8.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2228 2.5487 -6.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6816 2.7249 -7.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 2.2028 -8.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 4.7378 -7.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7443 4.1958 -9.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5096 5.9422 -9.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0576 4.3742 -9.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5841 5.4888 -7.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2651 3.8884 -7.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9436 5.4202 -7.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 6.7025 -8.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3201 5.2413 -9.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2887 1.8527 5.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 1.7847 4.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8157 -1.8283 4.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 -0.7440 4.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5529 -2.5681 5.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 -3.6848 5.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7623 -2.4398 1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.5328 2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1047 -1.4661 2.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2901 -3.1125 2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1755 -4.2553 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1954 -4.7286 2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9651 -4.8298 4.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0112 -4.8255 2.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0678 -3.6407 3.3665 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 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 26 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 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 6 27 89 1 0 27 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 54126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M CHG 2 49 -1 53 1 M END