HMDB0286597 RDKit 3D PC(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/18:2(9Z,12Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -1.4330 -6.4332 -7.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6521 -7.9516 -7.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 -8.5778 -7.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 -9.4402 -6.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 -10.0540 -5.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3416 -9.8096 -5.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 -9.1976 -4.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3428 -8.6388 -3.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8247 -9.1481 -1.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3595 -8.3908 -1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5073 -6.9411 -1.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6865 -6.2750 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1348 -5.4208 0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5123 -5.0378 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9765 -4.1638 1.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1785 -3.4661 2.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3141 -4.3488 3.1906 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5184 -2.2872 1.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6643 -1.4611 2.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8988 -0.1901 2.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0199 0.5168 2.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7419 1.6517 1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9617 2.7650 2.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4251 2.6237 3.1629 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 3.9779 1.4186 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1058 5.0914 1.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 5.0525 1.9839 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2771 6.5674 2.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 7.2737 1.1816 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4634 8.9195 1.2084 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9379 9.5862 2.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1954 9.2487 1.0666 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.2004 9.6501 -0.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 8.8639 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 9.4991 -1.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0499 9.6806 -2.9213 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.9059 11.0890 -3.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 9.1540 -2.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6235 9.0213 -4.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0865 4.7818 0.8298 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 3.9292 0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5698 3.3492 1.8257 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8486 3.7570 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 3.0259 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 3.7684 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4624 3.1679 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 1.7834 1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9404 1.5423 2.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1585 0.0604 2.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5054 -0.2321 4.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 -1.1171 4.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0371 -1.9576 3.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 -1.7574 3.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 -1.3521 1.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 -1.0479 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6021 -1.8963 -0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -1.7540 -0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1717 -0.3364 -1.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 0.2335 -2.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3672 -5.8870 -7.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8679 -6.2989 -6.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 -6.0367 -8.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5556 -8.2663 -7.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -8.0393 -8.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -8.2322 -8.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0148 -9.7778 -6.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 -11.2061 -5.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 -9.9309 -4.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -10.2327 -6.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0947 -9.0937 -4.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 -8.8600 -3.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3488 -7.5465 -3.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7011 -10.2430 -1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7003 -8.8225 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1901 -6.5326 -2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6043 -6.6660 -1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 -6.5717 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3871 -5.0322 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2413 -5.4370 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0634 -3.9573 1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8515 -3.1113 3.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -4.1970 4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2395 -1.7670 1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8062 -2.7582 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7715 -1.9213 3.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1839 0.3517 3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5595 1.0079 3.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8296 -0.0780 1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 1.3238 0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7586 2.0829 1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5106 5.5624 2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3047 5.8965 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2658 4.5125 2.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8761 6.8474 3.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7885 6.6553 2.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0533 8.8872 0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0179 7.8077 -0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8048 8.9036 -2.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3169 10.4915 -1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0318 11.4573 -2.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6637 11.1300 -4.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8513 11.5801 -3.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7168 8.1932 -2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0312 9.9048 -2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 8.9293 -3.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 9.1345 -4.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 9.3996 -5.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3646 7.9237 -4.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 4.7652 -0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1599 3.2299 -1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 2.8507 -1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8899 2.0403 0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6623 3.9796 1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2037 4.7996 0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 3.3242 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0289 3.8202 1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 1.0168 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6471 1.5213 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 1.6725 2.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3537 2.1595 3.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2768 -0.0622 3.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9107 -0.5672 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8513 0.3579 5.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1372 -1.2674 5.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6491 -2.0256 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 -3.0283 3.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 -1.9485 3.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 -1.2268 1.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6768 0.0097 0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0055 -1.1038 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -2.9572 -0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 -1.6880 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4713 -2.0575 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0272 -2.4278 -1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1717 0.2908 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.3585 -1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 1.2667 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 0.2984 -2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7013 -0.3922 -3.3515 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 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 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 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 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 1 28 94 1 0 28 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 37100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 39108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 32 -1 36 1 M END