HMDB0267021 RDKit 3D PA(a-17:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) 121120 0 0 0 0 0 0 0 0999 V2000 15.4486 -1.2326 2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3117 -2.2229 2.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9453 -2.5115 0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5186 -1.2355 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1665 -1.6238 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7413 -0.4615 -2.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5761 -0.3654 -2.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5659 -1.4036 -2.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2631 -0.9175 -2.0328 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7677 0.1405 -2.7802 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4420 -0.5419 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4043 -0.2322 0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6977 0.1200 1.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8119 0.4457 2.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3389 0.4934 2.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9512 1.8751 2.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4049 2.7852 1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9562 2.7763 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8611 1.6398 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8629 0.5684 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 1.0508 -0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2338 2.2216 -0.7604 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3551 0.3069 0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0278 0.8874 -0.0740 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5212 0.9982 1.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7588 1.5540 1.4019 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0114 1.2037 1.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 0.0827 0.5585 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 2.0943 1.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7462 2.5369 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2421 1.4581 -0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3585 0.6478 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4925 1.5436 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6419 0.8947 0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3184 -0.1416 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8810 0.4318 -1.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6421 -0.4864 -2.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9919 -0.9622 -1.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4328 -1.5132 -0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6688 -0.5205 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0354 -1.3011 1.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2769 -2.1248 1.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2394 -0.4002 2.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0167 0.3996 3.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 0.1016 -1.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 0.1141 -2.2679 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 -0.7652 -3.4074 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0786 0.0288 -4.6738 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3078 -1.2557 -2.7815 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 -2.1292 -3.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9888 -1.1891 3.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1400 -1.4820 1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0062 -0.2395 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4000 -1.7835 2.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6325 -3.1686 2.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7876 -2.9581 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0688 -3.2065 0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3369 -0.4828 0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6142 -0.8495 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5724 -2.5217 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1763 -1.9251 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4927 0.3599 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3826 0.5776 -3.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2563 -1.5823 -3.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8481 -2.3913 -2.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4897 -1.7339 -2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 0.9478 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4365 -0.5120 -0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4541 -0.2879 -0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7601 0.1211 1.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 0.7150 3.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2155 0.1036 1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7757 -0.1571 2.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1872 2.1812 3.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2272 3.8179 2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 3.2831 0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5252 3.6048 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8158 1.1735 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 2.0628 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 -0.1454 -1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0337 -0.0684 0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1714 1.9093 -0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 1.4630 2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5786 -0.0677 1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9153 2.9992 1.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9681 1.5619 1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8828 3.0243 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4855 3.3579 0.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6991 1.9734 -1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4781 0.7765 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9921 0.0024 0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7130 -0.0297 -1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0891 2.3423 0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8244 2.0953 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3892 0.4321 1.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4260 1.6837 0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9434 -0.8391 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4203 -0.8049 -0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0318 0.9297 -1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5444 1.3191 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6490 -0.1164 -3.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9766 -1.4417 -2.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3364 -1.6622 -2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6979 -0.0672 -2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3612 -2.1377 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6988 -2.2959 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6085 0.0783 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9211 0.1943 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1795 -1.9781 1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9669 -3.1453 1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9261 -1.7246 0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8748 -2.1187 2.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1077 0.2566 2.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5182 -1.0103 3.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1340 -0.2785 3.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8572 1.1772 2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1832 0.8444 4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 0.7323 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -0.8982 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -0.6961 -3.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0811 -2.3722 -4.7976 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 1 0 9 11 1 0 11 12 2 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 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 41 43 1 0 43 44 1 0 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 1 10 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 24 82 1 6 25 83 1 0 25 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 42110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 49120 1 0 50121 1 0 M END