HMDB0288198 RDKit 3D PC(22:4(7Z,10Z,13Z,16Z)/20:4(5E,8Z,12Z,14Z)-OH(11R)) 145144 0 0 0 0 0 0 0 0999 V2000 -4.2002 4.3273 -9.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7442 3.9877 -9.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5669 3.4133 -7.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1315 3.0090 -7.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1349 2.4553 -6.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1674 2.0067 -5.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8052 2.4907 -4.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2479 3.5451 -3.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8993 4.0003 -2.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 3.5061 -2.1921 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0998 2.0998 -2.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 4.1199 -0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6595 3.7401 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 3.0708 0.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 2.6476 1.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 3.1851 3.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2101 2.3690 4.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0126 2.8267 5.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 2.4061 6.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 0.9893 6.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1035 0.2646 4.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 0.8539 3.7479 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 -1.1024 4.8325 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1369 -1.9832 3.7961 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3968 -2.8039 3.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2873 -3.7521 2.7285 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2718 -4.6490 2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -4.5803 3.1472 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1975 -5.6794 1.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 -5.3410 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4227 -4.3943 -0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -4.9022 -1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4116 -3.9371 -2.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 -3.8942 -3.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0062 -2.8179 -3.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -1.4323 -3.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 -0.6951 -2.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9734 -0.0448 -1.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0428 0.0233 -0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5656 -0.4370 0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5824 0.3782 1.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 1.7739 1.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 2.6695 1.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9686 3.5037 2.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1584 3.6448 3.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6972 5.0836 3.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8973 5.2542 4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0593 4.3798 4.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5538 4.6174 2.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 -2.8669 3.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 -2.0990 3.1088 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4999 -3.0353 2.7272 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9723 -3.8219 3.9239 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -4.1172 1.4694 O 0 0 0 0 0 1 0 0 0 0 0 0 4.7296 -1.9545 2.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6848 -2.5441 1.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7308 -1.5276 1.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3996 -0.9990 2.3278 N 0 0 0 0 0 4 0 0 0 0 0 0 7.1919 -1.7490 3.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8123 -0.8879 2.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9258 0.3704 2.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4433 4.4639 -10.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4966 5.2403 -8.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8393 3.5092 -8.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1311 4.9249 -9.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4101 3.2887 -9.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9472 4.1513 -7.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2408 2.5226 -7.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8498 2.2229 -8.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4975 3.8982 -7.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8206 1.5507 -6.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6424 3.1618 -5.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 1.1855 -6.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7635 2.0590 -4.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 4.0163 -3.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 4.8035 -2.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0492 3.6869 -2.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 1.9955 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4791 5.2603 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 3.9616 -0.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5936 4.0393 -0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7263 2.8495 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 1.5050 1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 2.8088 1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2421 4.2503 3.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3431 1.2832 3.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 2.3894 6.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 3.9318 5.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7206 2.7650 7.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1393 3.0554 5.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 0.9201 6.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 0.4592 6.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 -1.3252 2.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 -2.2236 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 -3.4371 4.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -6.1989 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5572 -6.5072 1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6117 -6.3121 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 -5.0402 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 -3.4471 -0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8939 -4.1826 -1.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4963 -4.9596 -0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7223 -5.8748 -1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5152 -2.9849 -1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4045 -4.3523 -2.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2043 -4.9108 -3.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2971 -2.9797 -4.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2204 -1.3775 -2.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5996 -0.9253 -4.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2804 -0.6872 -3.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0113 0.4625 -1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8539 -0.7385 -1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4707 1.0192 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1776 -1.4160 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2465 0.0176 2.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3531 2.1282 0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9356 1.8213 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 2.5700 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0738 4.0964 3.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9367 2.9097 3.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 3.5178 4.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 5.7306 4.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 5.3233 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2417 6.3034 4.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6104 4.9667 5.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8939 4.6246 4.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8567 3.3060 4.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7264 4.6191 2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2054 3.7606 2.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1921 5.5211 2.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 -3.4678 4.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 -3.5633 2.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1745 -2.7797 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -3.4998 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2533 -0.6988 0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4430 -1.9957 0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3162 -2.8427 3.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9677 -1.4136 4.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2219 -1.4945 4.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1367 -1.8098 1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3477 -0.7228 2.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9371 0.0119 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2624 0.7378 3.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3221 1.0289 1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8316 0.3332 2.5990 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 2 0 9 10 1 0 10 11 1 0 10 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 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 2 0 35 36 1 0 36 37 1 0 37 38 2 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 1 0 47 48 1 0 48 49 1 0 24 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 9 76 1 0 10 77 1 6 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 24 93 1 6 25 94 1 0 25 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 59137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 61143 1 0 61144 1 0 61145 1 0 M CHG 2 54 -1 58 1 M END