HMDB0285771 RDKit 3D PC(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/14:1(9Z)) 129128 0 0 0 0 0 0 0 0999 V2000 -3.9694 8.3909 4.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4952 8.3015 4.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 7.3441 5.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 6.2905 5.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 5.8786 3.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7107 4.4900 3.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 4.5735 3.7491 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5724 4.1033 1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0453 2.9263 1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9042 2.5356 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 1.3998 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 1.0158 -1.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7303 2.1492 -2.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6827 2.0418 -3.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 0.8145 -3.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3132 0.4710 -5.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9296 -0.6242 -5.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -1.8739 -4.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -2.1602 -3.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5864 -2.5070 -2.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -2.6481 -3.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3428 -4.0200 -3.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3786 -4.6539 -1.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4719 -4.6324 -1.1984 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3264 -5.2517 -1.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 -5.8881 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 -5.1883 1.2319 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3110 -3.9622 1.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0846 -3.5034 2.8083 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0759 -2.1652 3.0638 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5984 -2.1234 4.4834 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0996 -0.7949 2.8803 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.3412 -2.1925 1.9471 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4253 -1.5781 2.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -1.5132 1.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5075 -0.8091 0.4376 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.8062 -0.1921 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1762 -1.7152 -0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5554 0.2595 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9508 -4.8264 1.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 -5.2976 2.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0567 -6.0598 3.2332 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1068 -5.0638 2.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3268 -3.8225 3.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9498 -2.5448 2.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8692 -2.4192 1.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5347 -1.1552 0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4828 -1.0167 -0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1729 0.2309 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7976 0.1995 -1.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 0.2634 -2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6196 0.3694 -4.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4639 -0.8674 -4.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -0.7408 -6.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4181 -1.9317 -6.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5847 8.6636 4.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 9.1596 5.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3375 7.4347 5.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0919 9.3460 4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 8.1522 3.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8157 7.5402 6.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 5.6323 5.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 5.7066 3.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5479 6.5249 2.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 3.7300 4.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 3.7215 3.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 4.7478 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7321 2.2846 2.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 3.2318 -0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0646 0.7224 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 0.9090 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 0.0881 -1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2054 3.1513 -2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9904 2.9415 -3.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5505 1.1662 -3.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.0391 -2.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 1.3085 -5.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8962 -0.6035 -6.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -2.1917 -5.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2123 -2.7015 -5.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5856 -2.1381 -3.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8228 -2.6888 -1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 -2.1950 -4.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -2.0235 -2.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 -4.6849 -3.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3483 -4.0800 -3.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8263 -6.2988 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -6.8669 -0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 -5.8864 2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 -4.2400 1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1444 -3.1758 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6975 -2.1647 3.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1305 -0.5512 2.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 -2.5274 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 -0.9745 2.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7592 0.4256 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5816 -0.9808 0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1199 0.4560 0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7733 -2.6403 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0999 -1.8975 -0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4864 -1.2118 -1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 1.1167 1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3694 0.5713 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 -0.1069 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7568 -5.0480 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5279 -5.9089 3.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7868 -3.8876 4.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4002 -3.7188 3.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 -1.7079 3.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9129 -2.5371 2.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7361 -3.2683 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9283 -2.3283 1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -1.1866 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6395 -0.2492 1.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4200 -1.9337 -0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5069 -0.9125 0.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9561 0.5197 -1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1372 1.0655 -0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9266 0.1201 -1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 0.2320 -3.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 1.2538 -4.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6561 0.3774 -3.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4784 -0.8101 -5.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6621 -1.7907 -4.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5144 -0.7791 -5.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4024 0.1747 -6.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2889 -1.9533 -7.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4717 -1.8646 -7.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4498 -2.8556 -6.2669 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 6 8 1 0 8 9 2 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 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 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 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 1 28 90 1 0 28 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 37 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 39104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 55129 1 0 M CHG 2 32 -1 36 1 M END