HMDB0287413 RDKit 3D PC(20:3(8Z,11Z,14Z)/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 139138 0 0 0 0 0 0 0 0999 V2000 3.1576 4.0458 1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2114 3.9140 0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 4.0009 0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5093 3.1184 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5048 1.7894 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2327 1.2625 -0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9421 1.0128 -1.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8627 1.2117 -3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4312 2.4814 -3.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9359 2.5218 -4.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6196 1.4491 -5.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1278 1.6666 -5.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2189 0.7774 -5.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4286 -0.5945 -5.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -1.4054 -5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -2.8188 -4.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -3.6329 -5.9035 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -3.0155 -3.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3387 -4.4719 -3.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -4.7403 -2.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -3.9103 -2.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9888 -3.4972 -3.5859 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6854 -3.4428 -1.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5849 -2.5229 -1.9134 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7488 -1.1682 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7429 -1.0594 -0.1225 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 -0.0420 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 0.7576 -0.2506 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0455 0.2253 1.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 1.1461 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 0.5231 2.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9748 -0.0432 0.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 -0.7908 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 -2.0294 2.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3134 -3.0361 1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4017 -4.3125 1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8459 -4.9843 2.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 -4.2367 3.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0894 -4.5736 4.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 -5.5293 4.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 -5.3626 4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0931 -4.3633 5.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6995 -2.9539 5.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3356 -2.5109 6.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 -1.0987 7.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8677 -0.4667 7.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 -0.3559 6.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9352 -2.1779 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3292 -1.0982 -2.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5150 -0.0586 -1.8283 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.3493 0.3184 -2.9945 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4185 -0.5993 -0.5660 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.6080 1.3643 -1.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3946 2.1380 -2.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9235 2.1999 -2.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 2.8465 -3.7507 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.8313 1.7942 -4.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1567 3.6781 -4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0629 3.5537 -3.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 3.5634 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8496 5.0840 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 3.4491 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 4.8838 -0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 3.0858 -0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 5.0113 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4979 3.4254 0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8434 1.0633 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3611 1.6645 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4224 1.0166 0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 0.6190 -2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8882 1.3372 -2.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8297 0.3616 -3.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6118 3.4313 -3.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6502 3.5547 -5.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1376 1.7624 -6.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 0.4443 -5.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8234 2.6810 -6.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1743 1.0936 -6.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 -0.9563 -5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4204 -0.9328 -5.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4666 -3.1582 -4.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3831 -3.5264 -6.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 -2.3995 -3.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -2.6084 -2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3461 -4.9074 -3.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0831 -4.9568 -4.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 -5.8186 -2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -4.5125 -1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5575 -2.3737 -3.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7724 -1.3647 -1.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3585 -0.4574 -1.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9946 0.6543 2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 -0.7555 2.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 2.0970 1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 1.4923 3.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5343 -0.1384 3.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1442 1.4080 2.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -0.8479 0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2795 0.6880 0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8092 -1.0540 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 -0.1715 2.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1175 -1.7429 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 -2.3683 2.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9282 -2.6950 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0994 -4.9738 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 -6.0329 2.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -5.2116 2.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7699 -3.5256 4.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 -4.0044 5.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2216 -6.0764 3.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3413 -6.4596 5.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 -6.3604 4.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 -4.5421 5.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 -2.8140 5.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 -2.3692 4.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4514 -2.7289 6.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0525 -3.1701 7.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8505 -0.8369 7.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7103 -0.4167 6.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3609 -0.9414 8.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0652 0.5900 7.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4245 0.7153 5.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9822 -0.9453 6.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4022 -0.5961 5.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6216 -3.0478 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9594 -1.8605 -0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8006 3.1590 -2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0034 1.7443 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7627 1.0300 -3.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3705 2.0983 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4302 2.2629 -5.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6945 1.1263 -4.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 1.1599 -4.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4768 3.1279 -5.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9974 4.0077 -3.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5432 4.5454 -4.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3669 3.4198 -4.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 3.1184 -2.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2578 4.6314 -3.3467 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 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 1 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 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 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 57131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 52 -1 56 1 M END