HMDB0008253 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -5.2485 -0.6579 4.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7712 -1.3885 2.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8293 -2.3739 2.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 -2.3417 1.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6308 -1.2809 0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2235 -1.9440 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7354 -1.8833 -2.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5104 -1.1290 -2.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8258 -0.0577 -3.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3045 0.0479 -4.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 -0.8816 -5.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0029 -0.5012 -5.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 0.6347 -5.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 1.8988 -4.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 2.2311 -3.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0561 1.1338 -2.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9264 1.3854 -1.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 0.3018 -0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2885 -0.3455 -0.4282 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8142 -0.0003 0.4091 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 -1.0705 1.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6886 -1.5404 2.0906 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4087 -2.9130 2.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6211 -3.5122 3.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -5.0224 3.7499 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9468 -5.2235 4.1944 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3728 -5.2589 5.1155 O 0 0 0 0 0 1 0 0 0 0 0 0 3.7979 -6.2787 2.6636 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 -6.7198 2.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8952 -7.8368 1.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 -7.4235 0.0371 N 0 0 0 0 0 4 0 0 0 0 0 0 5.1412 -7.2549 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 -8.4594 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 -6.2039 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3294 -0.6932 2.9624 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6171 -0.2531 2.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 -0.6523 1.6674 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3617 0.5668 3.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3104 2.0364 3.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 2.7698 2.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8561 3.6923 1.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5766 4.0954 2.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8063 5.5116 3.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1513 6.5322 2.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9861 6.5734 1.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 7.4391 0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2749 7.0565 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7868 5.7417 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 5.9564 -1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 5.5001 -1.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 4.7256 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8564 5.5405 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0666 5.1871 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6734 3.9057 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9064 4.2480 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6533 3.0318 -0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1436 2.2055 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0786 3.0179 1.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6678 -1.3548 4.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5934 0.1922 3.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1159 -0.2835 4.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1739 -0.6320 2.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 -1.9882 3.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5684 -3.1858 3.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6088 -3.1277 0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4245 -0.5688 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7087 -0.7637 0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1313 -2.5223 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2419 -2.4106 -2.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 -0.7251 -1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8104 -1.8514 -2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 0.6941 -3.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6959 0.9036 -5.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3957 -1.8863 -4.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8217 -1.2170 -6.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 -1.3065 -5.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 0.7272 -5.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8955 1.9622 -4.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6955 2.7114 -5.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0949 2.3415 -3.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 3.1781 -3.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 1.1019 -2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 0.1341 -3.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 2.3237 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 1.4699 -1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6956 -0.6651 1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1037 -1.9218 0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 -1.8070 1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 -2.8475 3.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9727 -3.5402 1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9074 -7.1224 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -5.9114 1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2643 -8.7555 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9254 -8.1200 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 -6.2000 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 -7.4674 -0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3706 -7.9689 1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0613 -8.1603 -1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3699 -9.4345 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -8.5643 -1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6238 -6.0498 -1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6404 -5.3567 0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1446 -6.1507 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1094 0.1451 4.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4744 0.2899 3.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1633 2.3420 4.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4100 2.3543 4.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5629 2.5020 1.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1426 4.1959 1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2514 3.5448 3.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 4.0612 1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6772 5.6029 3.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 7.5181 3.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 7.1448 2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5597 5.6141 1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 8.4517 1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5824 7.7527 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 4.9533 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 5.3818 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 6.5144 -2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 5.6897 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0649 4.4992 0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3212 3.7471 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4895 6.5389 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6603 5.9280 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0646 3.2422 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9952 3.3524 1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5787 4.8896 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5796 4.8647 -1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0975 2.4149 -1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5665 3.4087 -1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 1.8320 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7302 1.3620 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4634 3.5542 1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8230 2.4077 1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6208 3.7922 0.5711 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 2 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 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 6 23 89 1 0 23 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 34103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 M CHG 2 27 -1 31 1 M END