HMDB0263468 RDKit 3D PA(20:3(6,8,11)-OH(5)/16:1(9Z)) 118117 0 0 0 0 0 0 0 0999 V2000 -15.2382 1.4295 1.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6157 1.8286 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7799 1.0036 -0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3221 1.2945 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4387 0.4924 -1.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9623 0.7949 -1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1604 0.0058 -2.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2682 -0.9397 -1.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9997 -1.2909 -0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6902 -1.1085 0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4681 -1.7531 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 -1.3711 -1.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6605 -2.1700 -1.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0839 -1.8080 -3.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -0.3735 -3.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6658 -0.0085 -2.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2646 1.1999 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 -0.9021 -1.6111 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 -0.6544 -0.6514 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1951 -1.3323 -0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1704 -1.1226 0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6153 0.1315 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 1.1892 -0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6724 0.2293 1.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9077 0.3560 2.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 0.4171 4.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6489 1.5711 4.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9178 2.7680 3.9812 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7442 1.4652 3.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4523 0.3685 2.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5528 0.2890 2.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2562 -0.8072 1.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3515 -0.8376 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4840 0.4684 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6697 1.1427 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8097 2.4290 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8065 2.5849 -1.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2450 2.4134 -1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6793 1.0351 -0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 0.0022 -1.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6664 -1.3936 -1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0894 -1.7536 -1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8141 -1.1220 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -0.8540 0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6296 0.0481 0.9972 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1949 -0.0999 2.5833 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7088 -1.4230 3.1237 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -0.1062 2.6439 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6565 1.1931 3.5442 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1130 1.6193 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9224 0.3574 1.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3865 2.0772 1.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3740 2.8907 -0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6916 1.6117 -0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9719 -0.0834 -0.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0612 1.1969 -1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1440 2.3664 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1253 0.9061 0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7037 0.7564 -2.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6010 -0.5943 -1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8231 1.8902 -1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7576 0.7178 -0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2999 0.2049 -3.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7799 -1.4556 -2.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7649 -0.8436 0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2478 -2.4320 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7592 -1.3351 1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4345 0.0207 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4629 -2.8743 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6432 -1.4407 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6300 -1.4468 -2.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5822 -0.2990 -1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9218 -3.2658 -2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0292 -2.0406 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8751 -2.0606 -4.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2572 -2.5086 -3.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5987 0.2567 -3.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3168 -0.2573 -4.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 0.4552 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6216 -1.0207 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 -2.4333 -0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3007 1.1245 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 -0.6639 1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2018 -0.5118 2.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2415 1.2586 2.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0201 0.3800 4.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 -0.5602 4.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0928 1.5579 5.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9845 3.1785 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9923 2.3174 2.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 -0.4923 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7954 1.1514 1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0412 -1.6754 2.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2863 -1.0848 1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1008 -1.6190 0.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6869 0.9138 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4032 0.6536 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9851 3.2214 0.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8057 2.7533 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6796 3.6572 -1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4790 1.9175 -2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8531 2.7447 -2.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6043 3.0826 -0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8482 1.0834 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4409 0.8247 0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6441 0.3259 -2.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1821 0.0492 -1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0483 -1.7118 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2741 -2.0610 -2.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1098 -2.8783 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6964 -1.5921 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4298 -1.9463 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6110 -0.3956 -0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1778 -0.7580 0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7662 -0.5938 1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 -1.8611 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2705 0.7971 2.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0835 1.8233 3.0289 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 1 0 7 8 2 0 8 9 1 0 9 10 1 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 2 0 16 18 1 0 18 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 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 19 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 19 79 1 1 20 80 1 0 20 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 28 89 1 0 29 90 1 0 30 91 1 0 31 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 48117 1 0 49118 1 0 M END