HMDB0263327 RDKit 3D PA(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/16:0) 116115 0 0 0 0 0 0 0 0999 V2000 11.8559 4.4460 1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4293 4.2541 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3957 3.5784 -0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0110 2.2167 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9787 1.5526 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5956 0.2004 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9779 0.3146 1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6525 -1.0498 1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 -1.8337 0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3781 -1.1355 0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3593 -1.9392 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7966 -2.1012 -1.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9571 -0.9336 -2.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 -0.1369 -3.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8272 0.4568 -2.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -0.4448 -1.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 -1.6792 -1.9926 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 0.0570 -0.9587 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 -0.8390 -0.4711 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5467 -0.4874 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 -1.3238 -0.8394 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6927 -2.6738 -1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6709 -3.2051 -1.5978 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7853 -3.5846 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9313 -2.9337 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -1.8711 -0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1596 -2.3797 -2.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4158 -2.4077 -2.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5569 -1.9326 -1.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4971 -3.0326 -1.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8878 -3.5359 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3988 -3.0201 1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5337 -2.6228 2.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8552 -1.5230 2.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1929 -0.2429 2.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9383 -0.0110 1.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7826 0.8657 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8697 1.6830 0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6729 2.5700 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7876 3.4234 -1.0578 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.8728 2.6115 -1.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1758 4.3365 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2869 5.2657 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 -0.7367 1.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1544 0.5453 1.3908 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0363 0.5621 3.0654 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4642 0.2257 3.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 -0.6149 3.7361 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 2.0690 3.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7905 4.6975 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3673 5.2786 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0119 3.5328 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3651 3.6446 0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6672 5.2371 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4961 4.2298 -0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7417 3.4380 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5435 2.4206 0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9159 1.6029 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0938 2.2015 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4789 1.3867 -1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5207 -0.4102 -0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9366 -0.3616 -1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1004 0.9993 1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7203 0.7576 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6036 -1.6029 1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1511 -0.8916 2.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -2.1157 -0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5189 -2.8074 1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4048 -0.1235 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9447 -1.0983 1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4058 -1.5007 0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 -2.9739 0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8077 -2.6383 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0908 -2.8334 -2.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6075 -1.2979 -3.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7518 -0.2212 -1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4266 -0.7951 -3.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3618 0.6761 -3.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 1.1612 -2.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 1.1531 -1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9582 -1.8842 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8215 0.5482 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3848 -0.5095 -2.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0814 -4.2530 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -4.2850 0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6511 -3.7302 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5559 -2.5287 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3724 -1.4050 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9035 -1.0507 -1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4009 -2.7630 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6640 -2.8144 -3.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1192 -1.2181 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2604 -1.3439 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9319 -3.4916 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6104 -4.3821 -0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9556 -3.9355 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6316 -2.3088 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2538 -3.4888 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8204 -1.5493 3.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9915 0.0918 3.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9866 0.5260 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0585 -0.5898 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7968 0.9733 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8900 1.6772 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6865 2.6474 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5050 3.9767 -1.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4905 2.4405 -0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4152 3.6701 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2873 4.9162 0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0287 4.7821 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7440 5.6433 0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8334 6.1765 -0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2397 -1.4464 1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 -1.0585 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 -0.9038 4.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3352 2.0583 4.6815 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 1 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 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 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 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 19 81 1 1 20 82 1 0 20 83 1 0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 37103 1 0 38104 1 0 39105 1 0 40106 1 6 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 48115 1 0 49116 1 0 M END