HMDB0272693 RDKit 3D PGP(18:3(10,12,15)-OH(9)/18:1(11Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -5.4825 -3.4435 7.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3107 -4.9157 7.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9395 -5.3853 7.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6639 -6.3446 6.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2425 -6.7716 6.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3281 -5.9510 7.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 -5.1848 6.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 -4.3807 7.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4541 -3.6037 7.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 -2.8029 8.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 -3.6553 8.6669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9883 -1.6159 7.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 -0.4761 6.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 -0.3465 5.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0325 -0.9627 5.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7326 -0.4953 4.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0894 -1.0989 4.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7661 -0.6542 3.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -1.0427 1.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 -0.6252 0.8397 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9215 -1.8252 1.9126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 -2.1960 0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 -1.0989 -0.0697 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1810 -1.7726 -1.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5909 -0.6851 -1.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5415 -1.1459 -3.2763 P 0 0 0 0 0 5 0 0 0 0 0 0 3.5324 -2.2379 -2.9196 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 0.2050 -3.7339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5928 -1.6258 -4.5933 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2814 -2.5973 -5.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 -3.0864 -6.4977 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2965 -4.0574 -7.1204 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 -3.7715 -5.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5555 -2.8419 -5.3698 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9707 -3.5140 -4.7691 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7649 -4.1629 -5.8831 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 -4.6581 -3.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 -2.2497 -4.0679 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2195 -0.2396 0.5442 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1612 1.1236 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 1.4869 -0.4968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0928 2.0818 0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 3.4729 0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 4.1726 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 5.5959 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4309 6.3348 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4941 5.6484 -0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0536 5.5613 -2.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 4.8886 -3.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7062 4.7771 -4.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4679 6.0737 -5.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 6.5135 -6.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2242 5.8408 -6.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0267 5.6082 -8.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9096 4.7975 -8.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5272 5.3075 -8.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5247 4.3674 -9.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 2.9906 -8.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3764 -3.3190 7.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6852 -2.8790 8.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6244 -3.0388 7.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4912 -5.0707 9.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0888 -5.5418 7.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1265 -4.8890 8.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4837 -6.8292 6.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9969 -6.6214 5.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1533 -7.8440 6.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4336 -5.9831 8.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2876 -5.1544 5.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 -4.4228 8.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5977 -3.5552 6.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7556 -2.4459 8.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0764 -3.7967 8.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 -1.2065 8.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8455 -1.9294 6.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 0.0357 7.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0378 0.3970 6.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.6209 4.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1807 0.7984 5.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -2.0013 6.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 -0.4392 6.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 0.6241 4.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0388 -0.7014 3.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 -2.1987 4.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6973 -0.6965 5.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8477 0.4574 3.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7992 -1.0642 3.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0011 -2.7232 0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5051 -3.0031 0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -0.6124 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -2.2829 -0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5436 -2.4235 -1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 1.0219 -3.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2482 -2.2196 -5.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4815 -3.4745 -4.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2045 -2.2947 -7.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 -3.8788 -6.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -4.3293 -6.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -4.5748 -5.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5409 -4.9231 -3.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8263 -2.3177 -4.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9181 1.9998 2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1247 1.6910 0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7489 4.0746 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4613 3.5827 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1253 3.6561 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4123 4.3405 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5505 6.1211 0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3282 5.5397 -0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 7.3763 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 6.3798 1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8049 4.7024 -0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 6.3276 -0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 5.0409 -2.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9279 6.5938 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3675 3.8722 -2.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0542 5.4802 -3.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7528 4.1938 -4.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4747 4.1859 -5.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 6.6938 -4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8515 7.5216 -6.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1231 6.5680 -6.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6395 4.9296 -6.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9155 6.6394 -8.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0153 5.2658 -8.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 3.7037 -8.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0077 4.7774 -9.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4249 6.2436 -9.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2847 5.6193 -7.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 4.7901 -8.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4023 4.3095 -10.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3659 2.4312 -8.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 2.9939 -7.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 2.4066 -9.0627 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 2 0 9 10 1 0 10 11 1 0 10 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 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 35 38 1 0 23 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 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 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 22 88 1 0 22 89 1 0 23 90 1 6 24 91 1 0 24 92 1 0 28 93 1 0 30 94 1 0 30 95 1 0 31 96 1 6 32 97 1 0 33 98 1 0 33 99 1 0 37100 1 0 38101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 M END