HMDB0268164 RDKit 3D PA(i-20:0/20:4(5Z,7E,11Z,14Z)-OH(9)) 130129 0 0 0 0 0 0 0 0999 V2000 -17.9067 -2.6425 -1.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7444 -1.6783 -1.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1389 -2.2772 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9604 -1.6909 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9316 -0.2991 0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1015 0.8100 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1946 1.7304 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8691 1.9797 0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2523 1.1778 1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1614 0.4656 1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4246 0.3812 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3886 -1.0659 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7779 -1.8795 0.3733 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8588 -1.1927 -1.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5882 -1.2807 -2.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5441 -1.2557 -1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2506 -1.3754 -1.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2723 -1.3312 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3019 -0.1969 -0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2973 -0.0781 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 0.9835 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3845 1.5583 -1.0055 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 1.3713 1.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4021 2.3858 0.6759 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0019 1.8606 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0928 0.7731 -0.1238 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 0.0155 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2264 0.3735 0.4973 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3481 -1.1231 -1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 -0.8067 -2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7092 -0.5370 -1.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5693 -0.2508 -3.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0027 -0.0269 -2.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5223 1.0635 -2.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2549 1.1716 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5537 0.1174 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -0.3764 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5722 -1.0713 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9342 -1.5967 -0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1190 -0.7805 -0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3142 0.1071 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6814 0.8049 0.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8287 -0.1393 0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9134 -1.0684 1.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1457 -1.9597 1.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3332 -1.0099 1.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0132 -2.7085 0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6438 3.6237 1.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9354 4.0365 1.2312 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4348 5.4050 2.0452 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9637 5.5328 2.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8997 5.3229 3.6594 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8356 6.7740 1.2857 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.6005 -2.6362 -0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4188 -3.6243 -1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3985 -2.2886 -2.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2302 -0.6938 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0797 -1.6284 -2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8546 -3.3490 -0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9244 -2.3913 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0673 -1.8246 -0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6542 -2.3923 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9072 -0.2662 1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1669 -0.1913 1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0688 0.9276 -0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5621 2.5043 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1896 2.2191 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9467 3.0483 0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6716 1.1781 2.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7632 -0.1258 2.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6731 1.0835 -0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3442 0.6175 0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4510 -1.4608 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5714 -2.7543 -0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5391 -1.2218 -2.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2868 -1.3733 -3.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7944 -1.1302 -0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0022 -1.4953 -2.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7765 -1.0829 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7529 -2.2938 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7252 -0.4831 -1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8382 0.7538 -0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9105 0.1695 1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -1.0354 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6031 2.6980 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6668 2.7110 0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3302 1.6166 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -2.0480 -0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -1.3779 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9194 0.1497 -2.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2416 -1.6302 -3.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9981 -1.3745 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6025 0.4415 -1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0600 0.5460 -3.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4692 -1.1645 -3.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4313 0.1434 -3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4644 -1.0312 -2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5688 1.3239 -2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9817 2.0172 -2.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2645 1.6282 -0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9484 2.0626 -0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2914 0.5439 1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 -0.7579 0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9259 -1.1588 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5477 0.4974 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5554 -0.4752 -1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 -1.9905 -0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1477 -2.2878 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 -2.3899 0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0044 -1.5074 -0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3251 -0.2242 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2107 -0.3379 1.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6023 0.9854 0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7180 1.3982 1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7299 1.4777 -0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7580 0.5092 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8294 -0.7090 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0338 -1.6861 2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1097 -0.5210 2.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2398 -2.6455 2.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2609 -1.4489 2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4953 -0.6800 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1204 -0.0958 2.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4264 -2.0732 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9645 -2.9269 0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6092 -3.6276 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0538 4.4079 1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 3.4355 2.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2706 6.1111 4.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7287 6.5807 0.3237 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 12 14 1 0 14 15 2 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 1 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 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 6 25 86 1 0 25 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 46121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 52129 1 0 53130 1 0 M END