HMDB0285981 RDKit 3D PC(16:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 137137 0 0 0 0 0 0 0 0999 V2000 -4.9069 -6.2279 -5.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5662 -6.7775 -5.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8627 -7.5423 -4.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -7.1728 -4.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 -6.0075 -4.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4011 -6.3615 -5.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 -7.0459 -4.9251 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -5.6391 -5.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 -4.8777 -4.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 -4.2634 -4.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -2.9853 -4.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5468 -1.9883 -3.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3048 -0.9888 -4.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4854 0.2873 -4.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0045 0.8743 -3.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 1.6108 -4.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 2.8899 -3.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 3.7475 -3.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0857 4.4515 -2.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 4.3622 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7613 3.5020 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3577 2.4853 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2948 1.6371 1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5484 2.0588 2.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0239 0.3597 0.7357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 -0.5152 1.2182 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8385 -1.6623 1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5614 -0.9849 2.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 -0.5810 4.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6219 -0.8649 4.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 0.1678 5.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8072 0.2812 6.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 0.8094 6.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1112 2.1100 5.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7661 3.3413 6.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 4.5416 5.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 4.7270 5.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 5.9074 4.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0678 7.1864 5.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6126 8.2996 4.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4232 8.0019 2.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9356 9.1286 2.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8024 8.9871 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5039 7.8896 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1765 6.4899 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.9728 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6491 0.1582 -0.2198 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 -0.1245 -1.3058 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1819 0.3279 -0.7013 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6615 0.8188 -2.7231 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.9028 -1.7264 -1.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9871 -2.3931 -1.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0032 -3.8130 -1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0675 -4.5937 -1.0435 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7872 -5.0530 0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4133 -5.7311 -1.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2392 -3.7221 -0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3658 -5.7288 -6.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5894 -7.0269 -5.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7921 -5.5185 -4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7921 -7.5571 -6.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9537 -6.0414 -6.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3593 -8.4622 -4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2124 -7.7912 -3.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -5.4606 -3.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4627 -5.3076 -5.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2441 -6.7329 -6.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3705 -5.5953 -6.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -4.2876 -3.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 -5.6659 -3.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2101 -4.9193 -4.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5956 -2.6123 -4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -1.5958 -2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -2.5403 -3.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9299 -1.3533 -5.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 1.0081 -5.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3909 0.1229 -2.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 1.4888 -3.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0044 1.0061 -4.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 3.3471 -4.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 3.3035 -2.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 4.6056 -3.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9239 5.1458 -2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4269 4.9719 -0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 4.1612 0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 2.9335 -1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1507 1.9610 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 3.0319 1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5196 0.0124 2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5262 -2.1020 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1797 -2.4470 2.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4794 -0.3927 5.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8699 1.1490 4.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5028 0.7546 7.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7355 -0.7834 6.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 0.8143 7.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 0.0432 5.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 2.1301 4.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0075 2.2579 6.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4793 3.5559 7.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 3.3874 6.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5123 4.4731 4.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 5.4382 5.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8972 3.8963 5.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4962 5.0221 6.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 5.5872 3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 6.0236 5.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 7.0668 4.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1531 7.3927 6.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 8.4698 4.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 9.2437 4.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 7.0545 2.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3462 7.8643 2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9786 9.4381 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 10.0380 2.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 8.8829 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1001 9.9443 0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 8.0090 -0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3002 8.0290 -1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1512 6.3081 0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 5.8921 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 5.9706 0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 -1.5300 0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -1.6609 -0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8285 -2.2877 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8821 -1.8239 -1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0514 -4.3405 -1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1233 -3.7488 -2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8545 -4.2393 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6308 -5.7465 0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 -5.6587 0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5079 -6.6682 -1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3933 -5.5772 -2.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6204 -5.9610 -2.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3249 -3.2106 -1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1039 -4.3255 -0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 -2.9741 -0.1697 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 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 26 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 8 6 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 1 27 90 1 0 27 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 55129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M CHG 2 50 -1 54 1 M END