HMDB0286532 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(17)/18:2(9Z,12Z)) 137136 0 0 0 0 0 0 0 0999 V2000 4.0317 0.0534 2.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 0.8835 3.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1008 2.3536 3.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0828 2.6206 1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 2.1999 0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 2.5333 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7459 1.7729 -1.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.3073 -1.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2406 0.1249 -2.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9007 -0.3879 -2.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2867 -1.0100 -0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7291 -2.3997 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 -3.3035 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 -2.7125 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 -3.6003 1.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1009 -4.4189 2.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7146 -3.9270 3.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4105 -3.3351 4.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 -2.4886 5.0989 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2703 -3.5607 3.4331 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0166 -2.9560 3.7022 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2991 -1.9836 2.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -1.0179 2.5174 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -0.0687 3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3719 0.0350 4.4699 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1686 0.8590 3.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 2.0525 4.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2066 3.0064 4.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9502 4.1835 4.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0025 5.4017 4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3203 5.8751 3.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 6.6344 2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6626 6.2855 1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 5.1166 0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6606 5.6580 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 5.4066 -1.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 4.5071 -2.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7027 3.4328 -3.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 3.2932 -4.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3164 4.1448 -5.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 3.3793 -5.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7704 4.3334 -6.0984 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 2.3656 -6.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 1.6521 -7.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 2.5517 -7.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0815 -3.9234 3.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 -3.1990 4.1264 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5666 -4.2839 4.3345 P 0 0 0 0 0 5 0 0 0 0 0 0 4.8485 -3.4974 4.3906 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3921 -5.1388 5.7705 O 0 0 0 0 0 1 0 0 0 0 0 0 3.6675 -5.3386 3.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8532 -4.6262 1.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -5.5435 0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0979 -4.8828 -0.6141 N 0 0 0 0 0 4 0 0 0 0 0 0 4.7452 -3.5981 -0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7671 -4.7253 -1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -5.7575 -1.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0145 0.5559 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1084 -0.9353 3.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 -0.0553 1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0243 0.7867 4.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 0.5314 3.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0685 2.6549 3.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3173 2.8889 3.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 3.7143 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 2.1086 1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9776 2.8126 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6335 1.1536 1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0629 3.6241 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 2.1594 -2.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 -0.0846 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 -0.1708 -1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 0.5402 -3.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7109 -0.4136 -2.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 -0.4365 -0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 -0.9646 -0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8098 -2.9213 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4201 -2.3572 -1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5536 -3.7023 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6829 -4.2071 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1377 -2.3271 -0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -1.7485 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 -4.3609 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3806 -3.0325 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 -5.2588 2.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0218 -5.1123 2.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5492 -3.2303 4.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8268 -4.7701 4.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1306 -2.3165 4.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2698 -2.5706 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3195 -1.6050 2.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0824 1.1730 2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1361 0.3286 3.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 2.6359 3.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9214 1.7272 5.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4153 3.3048 2.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0902 2.4131 4.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7039 3.9836 5.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7738 6.1983 5.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7011 5.1400 2.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1927 6.6417 3.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7951 7.5320 2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8342 6.8718 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7984 4.4286 0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 4.5902 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5266 6.3530 -0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 5.9083 -2.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 3.9725 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 5.1147 -2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4527 2.7692 -2.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7467 2.4979 -5.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0533 5.0864 -4.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 4.4658 -6.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3947 2.8561 -4.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 4.8187 -5.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1051 1.5713 -6.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0959 2.8058 -7.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5782 0.8391 -7.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 1.1562 -6.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5356 3.0005 -6.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 1.9524 -8.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3475 3.3105 -8.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2771 -4.6034 3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9475 -4.5393 4.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8348 -4.0815 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0919 -3.8497 1.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 -6.2515 0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0031 -6.1936 0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 -2.9885 -1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8367 -3.6617 -0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2516 -3.0084 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 -5.5998 -1.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 -3.7792 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 -4.6805 -0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 -6.5349 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2394 -5.1570 -2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6752 -6.2924 -1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 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 1 0 41 43 1 0 43 44 1 0 44 45 1 0 21 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 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 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 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 1 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 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