HMDB0287034 RDKit 3D PC(20:1(11Z)/20:3(5Z,8Z,11Z)-O(14R,15S)) 145145 0 0 0 0 0 0 0 0999 V2000 1.5914 -4.8513 3.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -4.0384 3.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3229 -4.7428 4.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 -4.9876 6.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 -3.9811 7.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9246 -2.9196 6.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4146 -2.1631 7.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3916 -1.0690 7.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5676 -1.4512 6.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 -0.6862 5.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5194 0.5681 5.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 0.7349 3.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 2.2262 3.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4511 2.7508 2.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2119 2.3995 1.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9592 2.7515 2.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3097 2.5524 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 3.4799 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 3.2468 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9137 4.1371 -1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0521 4.9682 -1.6983 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0566 4.0822 -2.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5323 4.7366 -3.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7737 4.6679 -4.4356 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8239 3.2804 -5.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4773 3.1932 -6.3534 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7003 1.5984 -6.9230 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7503 1.5888 -8.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2649 1.0944 -7.6241 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1528 0.5825 -5.6856 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1364 -0.7648 -6.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5529 -1.6145 -4.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5655 -3.0110 -5.0831 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.5598 -3.4792 -5.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3965 -3.7608 -3.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8612 -3.4633 -5.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 5.2812 -4.4151 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 6.2756 -5.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0956 6.5361 -6.2075 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0586 7.0432 -5.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2883 7.6442 -6.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6053 6.3760 -7.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 5.8742 -7.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9814 4.7102 -6.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9596 3.6428 -6.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 2.4274 -6.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7961 1.3466 -6.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 1.3295 -4.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4158 0.2759 -4.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 -0.6507 -3.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 -0.7660 -2.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -0.5412 -1.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3174 -0.6453 -0.3811 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -1.6094 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4059 -1.5337 0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0636 -1.2881 0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7774 -1.2060 1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 -0.9611 1.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8846 -0.8944 3.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 -4.5725 4.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -4.4790 2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4153 -5.9304 3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3392 -4.0405 2.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6252 -3.0054 3.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6385 -5.7494 4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3321 -4.2670 5.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -5.6886 5.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1764 -5.7691 6.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0887 -3.4663 7.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4615 -4.5329 7.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4084 -2.2174 5.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7794 -3.3540 6.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4774 -1.6882 8.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 -2.8834 8.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -0.1896 7.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -0.7981 8.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0715 -2.3702 7.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -1.1064 5.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3939 1.3136 5.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7485 1.0515 6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8865 0.4448 3.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 0.1604 3.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7571 2.7238 4.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 2.5358 4.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5202 3.9017 2.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3539 2.5549 1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2115 1.3057 1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 2.9878 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0338 3.7613 2.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 2.0494 3.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3012 1.5013 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1933 2.6576 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 3.3171 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2891 4.5124 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8775 2.1800 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4934 3.5213 0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5734 4.3459 -3.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7271 5.8384 -2.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 5.2667 -5.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8144 2.8091 -4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1088 2.6330 -4.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 -0.8890 -6.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 -1.0076 -6.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5711 -1.2956 -4.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 -1.4026 -3.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8347 -3.3629 -7.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 -3.0451 -5.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4322 -4.5744 -5.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9881 -4.7641 -4.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6951 -3.2228 -3.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3749 -3.9582 -3.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6934 -3.0866 -4.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9096 -3.1122 -6.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8405 -4.5721 -5.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 7.9048 -4.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 6.4419 -5.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1109 8.3371 -6.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 8.1170 -7.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 6.6629 -8.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1901 5.6955 -7.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7117 6.5857 -7.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 4.4368 -6.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 3.8287 -7.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 3.5901 -5.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 2.4860 -8.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 0.4994 -6.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1029 2.2590 -4.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4053 1.1088 -4.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 0.2726 -5.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 -1.3941 -3.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9961 -1.8678 -2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 -0.2326 -3.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6184 0.3692 -1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4925 -2.6382 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5387 -2.4518 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7547 -0.6503 1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -2.1851 0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -0.4454 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 -2.1138 2.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3138 -0.3583 2.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3826 0.0285 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7308 -1.7190 1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1632 -1.9290 3.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1074 -0.5772 3.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7144 -0.1703 3.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 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 54 52 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 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 6 25100 1 0 25101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 34106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 36114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 M CHG 2 29 -1 33 1 M END