HMDB0288663 RDKit 3D PC(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/24:0) 162161 0 0 0 0 0 0 0 0999 V2000 -7.7083 2.8131 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1745 3.6399 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4887 3.0450 -1.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6069 2.6552 -2.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1594 2.7941 -1.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6001 3.6908 -2.9969 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1993 4.9380 -2.9821 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1337 3.7986 -2.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3855 2.8708 -3.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 2.9734 -3.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1791 2.0806 -3.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6808 0.9048 -4.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0748 1.0345 -6.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 0.0967 -6.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0691 -1.1118 -5.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8696 -2.0310 -6.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 -3.2721 -5.5872 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2255 -3.9123 -6.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -2.9382 -4.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0268 -3.7887 -3.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 -5.1915 -3.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8799 -6.0332 -3.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6065 -5.8891 -1.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 -6.2726 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -6.6543 -0.7268 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5507 -6.2093 0.4449 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3001 -6.4650 1.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3045 -5.7651 2.5594 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9028 -6.2088 2.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0546 -5.6683 1.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -6.4292 1.8921 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3006 -7.8989 1.5925 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 -6.2699 3.5762 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.7284 -5.7176 1.0933 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -5.6758 1.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 -5.1057 1.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6431 -5.7702 0.3193 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.9093 -7.1685 0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9843 -5.1672 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9696 -5.5741 -0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4304 -4.3754 2.7142 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 -3.7311 3.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2247 -4.5048 4.8105 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -2.3013 4.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 -1.6163 3.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1241 -0.1649 3.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1848 0.6807 3.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1492 2.0961 3.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8485 2.8107 3.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9558 4.2061 4.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 4.9303 3.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6134 6.2854 4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4216 7.1362 4.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 6.7669 4.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 5.3777 4.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 4.9803 5.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7764 3.5037 4.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 3.3354 3.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 4.0069 2.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 3.9618 1.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4347 2.6418 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4488 1.5604 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 0.3165 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 -0.8700 0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 -2.0588 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 -1.7829 -2.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4880 3.2966 2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3157 1.7738 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8031 2.7586 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1563 3.9249 0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7836 4.5988 0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5644 2.9024 -1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9701 2.2053 -3.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8508 3.2577 -0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6401 1.7878 -1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8434 3.2173 -3.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5835 5.1238 -2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6492 4.6127 -2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8863 2.0843 -3.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 3.8348 -2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 2.2417 -3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7662 0.8720 -4.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2976 0.0262 -4.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2853 1.9034 -6.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1079 0.2693 -7.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7067 -1.3452 -4.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2634 -1.8677 -7.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3843 -3.9455 -5.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7799 -4.4432 -5.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1548 -1.8902 -4.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4809 -3.4271 -2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 -5.4429 -4.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -5.4764 -2.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6219 -7.1350 -3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 -5.8715 -4.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4812 -6.6061 -2.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1015 -4.8926 -1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 -6.3400 2.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 -7.5925 1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6278 -6.1457 3.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3713 -6.1125 3.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8389 -7.3365 2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4676 -4.9961 2.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9598 -6.6586 2.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0095 -4.0106 1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -5.2091 2.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0658 -7.6863 1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1831 -7.6728 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8209 -7.2477 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6272 -5.4489 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8874 -4.0548 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3595 -5.5769 -0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 -5.7069 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 -6.3236 -1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2839 -4.5789 -1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0843 -1.7274 3.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 -2.0740 5.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1591 -1.7106 2.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1175 -2.0333 3.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 -0.1269 4.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 0.2759 3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1949 0.6364 2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1892 0.2670 3.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4492 2.1534 4.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9346 2.6978 3.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 2.2494 3.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6868 2.9086 2.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2268 4.1650 5.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7272 4.7556 3.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 4.2216 3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6219 5.0768 2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9755 6.2469 5.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4738 6.8783 3.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 7.1001 3.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6753 8.2349 4.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 6.9641 6.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 7.4547 4.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7335 5.2166 3.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 4.7250 5.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4288 5.6015 4.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5246 5.0321 6.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 3.2072 5.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0241 2.9277 5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 3.5293 2.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 2.2048 3.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 5.0406 3.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 3.4639 2.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8927 4.6566 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6528 4.3461 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2914 2.7756 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4299 2.2964 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 1.3040 1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3996 1.8089 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 0.6690 -1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 0.0387 0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9311 -1.1290 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7676 -0.6555 -0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2067 -2.2602 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 -2.9811 -0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 -2.5392 -2.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3566 -0.8006 -2.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8601 -1.7791 -2.2613 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 28 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 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 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 6 7 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 1 18 89 1 0 19 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 22 94 1 0 22 95 1 0 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 1 29101 1 0 29102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 38107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 40115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 57142 1 0 57143 1 0 58144 1 0 58145 1 0 59146 1 0 59147 1 0 60148 1 0 60149 1 0 61150 1 0 61151 1 0 62152 1 0 62153 1 0 63154 1 0 63155 1 0 64156 1 0 64157 1 0 65158 1 0 65159 1 0 66160 1 0 66161 1 0 66162 1 0 M CHG 2 33 -1 37 1 M END