HMDB0272958 RDKit 3D PGP(20:3(8Z,11Z,14Z)-2OH(5,6)/18:2(9Z,12Z)) 139138 0 0 0 0 0 0 0 0999 V2000 5.5609 -4.1397 0.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2235 -3.6168 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2969 -2.6111 -1.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9634 -2.1105 -2.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0507 -1.0951 -3.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7297 -0.6191 -4.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0089 0.6471 -4.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7501 1.7934 -3.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 2.8193 -4.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 3.3275 -3.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 2.9676 -2.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 2.4661 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8817 2.1503 -3.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 2.2373 -5.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0557 0.9610 -6.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2631 0.5352 -6.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 -0.1768 -5.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 -1.0237 -6.9297 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 -1.1483 -4.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -1.8743 -4.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 -2.9287 -3.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4237 -2.6333 -2.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8157 -3.6140 -1.7626 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 -1.4424 -1.8379 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7274 -1.4125 -0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5477 0.0088 0.0238 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3377 0.8424 -0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6878 0.5159 -0.7139 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7384 1.3395 -1.7328 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3536 2.4723 -0.9137 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9174 2.0749 -3.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0143 0.3761 -2.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3692 0.6978 -3.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5106 -0.1643 -4.0616 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8129 0.2171 -5.3893 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1422 -1.6179 -4.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0407 -1.8696 -4.9405 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -3.5361 -4.9015 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0454 -4.2996 -5.2171 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2099 -4.0176 -3.3765 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6611 -3.9392 -6.1099 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8628 0.2518 -0.0935 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5171 0.8314 1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 1.0873 1.9736 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9477 1.0966 1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8367 0.2345 1.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7892 0.1728 3.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -0.2205 4.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0746 -1.5679 3.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -1.9931 4.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -1.0330 4.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5181 -1.4510 4.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 -0.7319 5.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6367 0.6019 6.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7059 1.6064 6.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2718 2.3086 6.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 2.2359 8.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4742 3.5625 8.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5123 4.6519 8.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 5.9274 9.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9215 7.0802 9.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0665 -5.0623 1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4973 -4.3146 0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5607 -3.3689 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2223 -3.1979 -0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3606 -4.4847 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3436 -3.1323 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0972 -1.7693 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9089 -1.6064 -2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1106 -2.9637 -2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0849 -1.6197 -3.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 -0.3063 -2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -1.3693 -5.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5253 0.8788 -5.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3282 1.4696 -2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7853 2.2051 -3.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4681 3.2397 -5.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4478 4.1567 -4.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 2.3081 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9444 3.9312 -2.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 2.3178 -1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1696 1.7847 -3.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 2.7988 -5.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4054 2.8997 -5.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2757 1.2770 -7.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8393 1.1958 -5.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9891 -0.0004 -5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 -1.7994 -6.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3172 -1.9410 -4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 -0.6127 -3.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1711 -2.3329 -5.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 -1.1119 -4.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6676 -3.7462 -4.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0593 -3.5052 -4.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1176 -2.0855 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 -1.6759 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 0.2529 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 0.4704 -1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1389 1.9061 -0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6978 1.3791 -3.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6633 1.7638 -3.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5195 0.5111 -4.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4042 -0.0578 -3.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0278 1.1967 -5.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0071 -2.0600 -3.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9863 -2.1892 -4.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9466 -4.9549 -3.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5452 -4.9208 -6.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 2.1480 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 1.2344 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 0.5518 1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8385 -0.8379 1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 1.2047 3.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6488 -0.4773 3.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9743 -0.4192 5.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 0.5530 4.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 -1.6324 2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8829 -2.3093 3.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -2.1655 5.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4945 -2.9657 3.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0863 -0.0013 4.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 -1.0994 3.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9624 -2.4191 4.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 -1.1258 6.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 0.9864 5.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 0.5045 7.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0395 1.7618 5.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 3.0267 6.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9183 2.0035 8.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2621 1.4559 8.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3111 3.4409 10.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4932 3.8165 8.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3868 4.3683 9.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8066 4.8155 7.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0358 6.1866 8.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 5.8165 10.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8561 6.7858 8.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 7.8968 8.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1869 7.5362 10.2469 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 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 26 42 1 0 42 43 1 0 43 44 2 0 43 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 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 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 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 1 27 98 1 0 27 99 1 0 31100 1 0 33101 1 0 33102 1 0 34103 1 1 35104 1 0 36105 1 0 36106 1 0 40107 1 0 41108 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 50120 1 0 51121 1 0 51122 1 0 52123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 60135 1 0 60136 1 0 61137 1 0 61138 1 0 61139 1 0 M END