HMDB0288533 RDKit 3D PC(20:3(8Z,11Z,14Z)-2OH(5,6)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -0.1829 6.0999 -1.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1221 4.5730 -1.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5112 4.0952 -1.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 3.3115 -0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 2.7955 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1745 1.3290 0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6646 0.5993 1.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2245 1.2399 2.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6415 0.7950 2.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2613 0.1652 3.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 -0.2844 4.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4359 0.0163 5.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 -0.8033 5.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4164 -2.2325 5.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5232 -3.0857 5.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -3.8257 4.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4244 -3.8638 3.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8479 -5.2033 3.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -5.9322 2.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3607 -5.5387 0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1572 -5.5533 -0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 -5.2277 -1.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2177 -5.9411 -2.5568 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 -4.1366 -1.8499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8467 -3.7791 -3.1131 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5813 -2.3689 -3.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2185 -1.9579 -3.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0142 -0.6239 -3.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0675 0.0540 -4.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2392 0.0786 -3.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3558 -0.2949 -3.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 -0.1008 -1.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9284 -0.3313 -0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 -0.1389 0.6674 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 -1.5908 -0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 -2.6683 -0.4055 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8563 -1.5346 0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 -2.7379 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 -2.6854 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7054 -1.4289 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7867 -1.2022 0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8612 -0.1605 1.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8863 0.9127 1.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 2.1718 1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6413 3.2014 2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 3.3054 3.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0049 4.4200 3.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5775 5.7635 3.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6617 6.1967 4.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1718 6.2757 5.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3772 -3.9793 -3.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9996 -3.1800 -2.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6597 -3.4068 -2.3549 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9830 -4.5722 -3.2926 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3105 -3.7870 -0.8416 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.4359 -2.0221 -2.9208 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6142 -1.0758 -1.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2923 0.1694 -2.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5415 0.8252 -3.4754 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.3236 1.4049 -2.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2547 -0.0619 -4.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3353 1.9309 -3.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 6.5207 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 6.5218 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0479 6.3564 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2982 4.2885 -2.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 4.1479 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 4.4019 -2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0204 3.0151 -0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5562 3.2667 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0743 3.1269 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7536 0.9184 -0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6927 -0.4715 1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 2.3182 2.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6491 0.7855 3.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 1.0521 1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3682 -0.0739 3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4531 0.2699 5.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0839 -1.3501 5.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 1.1471 5.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5117 -0.2604 6.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -2.5512 6.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4304 -2.6099 5.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3799 -3.1942 5.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4091 -4.4674 4.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8106 -3.5097 2.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6384 -3.1414 3.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4166 -5.6060 4.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3403 -6.9283 2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7761 -4.5423 0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 -6.3168 0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3285 -6.5497 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 -4.8101 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4541 -4.4536 -3.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1283 -1.6567 -2.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -2.0947 -4.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 -0.0543 -5.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0862 1.2025 -3.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.3734 -3.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 -1.3696 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -0.7210 -1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5453 0.9588 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6909 0.5393 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7567 -0.8920 0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1943 -1.7728 -1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 -3.1095 0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3056 -1.5873 1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3408 -0.5763 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 -3.7254 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5734 -3.6151 0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1045 -0.5866 -0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2708 -1.6852 -1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5704 -2.0002 0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 -0.0514 2.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0882 0.8457 0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 1.0198 2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 2.2812 0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1991 4.1097 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6933 2.3640 3.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8587 3.6410 4.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1854 4.1649 2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5906 4.4346 4.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0303 5.7190 2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8004 6.5482 3.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0037 7.2139 3.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 5.5327 3.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 7.2814 5.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0557 6.1056 5.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7089 5.5434 6.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6632 -5.0257 -3.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6834 -3.5926 -4.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6702 -0.7880 -1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2631 -1.4786 -1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3245 0.0035 -2.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3274 0.8841 -1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4489 1.7989 -1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5237 0.6202 -2.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9707 2.2502 -3.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1002 0.5234 -5.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3001 -0.6031 -4.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1071 -0.7260 -4.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9362 2.2007 -4.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3029 2.7841 -3.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3948 1.5705 -4.0181 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 1 0 18 19 2 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 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 6 26 95 1 0 26 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 34104 1 0 35105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 60136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 61141 1 0 62142 1 0 62143 1 0 62144 1 0 M CHG 2 55 -1 59 1 M END