HMDB0008243 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -0.0586 -3.9532 3.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6219 -3.6634 4.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -3.9669 5.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 -3.1223 6.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4431 -1.7066 6.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5712 -0.7707 6.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9151 0.0869 7.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3858 0.3733 8.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3021 -0.4039 9.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8818 0.0375 9.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3614 1.4411 9.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 1.4085 8.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 2.1638 7.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5438 3.1518 7.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8439 2.9338 5.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 2.7697 4.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1837 2.6768 3.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1887 1.6266 3.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1019 0.8391 4.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5006 1.4406 1.8878 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 0.4528 1.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 0.3831 0.3622 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9563 -0.0650 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4258 -1.2914 -0.2824 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -1.7451 -1.3766 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7258 -0.7293 -2.5264 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 -3.2377 -2.1240 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.3024 -1.7539 -0.7994 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0931 -0.6874 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5033 -0.8120 -0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1587 -2.0071 -1.1248 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.9006 -3.0679 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -2.4458 -2.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5952 -1.8639 -1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0897 -0.5787 0.3293 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3431 -0.1827 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4029 1.0353 -0.5467 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 -0.9918 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 -2.4369 -0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8997 -2.8901 -1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -2.4109 -2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9984 -2.9616 -3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 -2.5608 -4.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7674 -1.0721 -4.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3142 -0.6384 -5.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 0.8086 -5.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6786 1.7653 -4.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9567 2.6676 -3.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 2.9711 -4.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 2.1773 -4.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9797 2.6268 -5.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9744 4.0243 -6.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4743 3.9386 -7.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3893 5.2674 -8.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5482 6.2179 -7.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9278 5.5739 -7.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -3.6090 2.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0197 -5.0620 3.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9547 -3.5864 3.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1949 -2.7516 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4362 -4.4808 4.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7334 -5.0063 5.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6317 -3.4423 7.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 -1.5507 5.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2223 -1.4845 7.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 -0.8072 5.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8053 0.7356 7.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 0.2809 9.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 1.4986 8.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -1.5026 9.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6231 -0.6660 10.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 1.6435 10.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 2.1790 9.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2922 0.7242 8.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4065 2.0302 6.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 4.1478 7.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7781 3.3210 7.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1697 2.0638 5.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2542 3.8601 5.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 3.6405 4.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4834 1.8829 4.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6558 3.6610 3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 2.6276 2.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3307 0.7352 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 -0.5329 2.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3352 1.3806 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -0.0782 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1344 0.6896 -0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6754 0.2612 -0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1516 -0.6573 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5463 -0.7129 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0764 0.0443 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2243 -3.8475 -0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8030 -3.5958 0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4084 -2.6867 0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6258 -2.8754 -2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7349 -1.6295 -3.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3091 -3.2613 -2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9509 -2.6942 -1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8576 -0.9298 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1056 -1.9472 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0818 -0.8986 0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2853 -0.5029 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7985 -2.8674 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4091 -2.9801 -0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 -4.0094 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -2.4856 -2.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 -1.3026 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 -2.7049 -1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0053 -4.0579 -3.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9353 -2.6581 -3.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 -2.9362 -4.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3098 -3.0474 -5.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 -0.4905 -4.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2988 -0.9395 -5.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8673 -1.3074 -5.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7757 -0.7947 -4.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0534 0.8928 -6.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 1.0547 -6.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 1.7504 -4.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 3.3212 -3.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 2.8441 -3.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 4.0829 -4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4815 1.0881 -4.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6221 1.9391 -6.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0623 4.3449 -6.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 4.6863 -5.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4601 3.3761 -7.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 3.3250 -8.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3779 5.7214 -8.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0467 5.0841 -9.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 6.4757 -6.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 7.1462 -8.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 4.6922 -7.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 5.3174 -8.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6517 6.2997 -7.4775 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 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 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 6 23 87 1 0 23 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 32 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 34101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M CHG 2 27 -1 31 1 M END