HMDB0263284 RDKit 3D PA(16:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) 118117 0 0 0 0 0 0 0 0999 V2000 15.8273 2.0761 -3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7240 2.0335 -2.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4297 1.8968 -3.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2380 1.8623 -2.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3257 0.6856 -1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3659 -0.5532 -2.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4961 -1.5142 -2.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3367 -1.4850 -1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4214 -2.6668 -0.2627 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4185 -3.8751 -0.9109 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4616 -2.5285 0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1569 -2.4548 0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1866 -2.3170 1.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8974 -2.2289 1.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 -2.2665 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -3.4045 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0316 -3.2395 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4757 -1.9087 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4988 -1.4748 0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0265 -0.0605 0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1325 0.4448 1.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2562 -0.3460 2.4717 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3065 1.7491 1.6405 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 2.1742 2.6682 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3460 2.8943 2.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1798 2.1549 1.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8107 0.9669 1.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6505 0.4311 2.7774 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 0.3164 0.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 0.6938 1.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2686 2.1639 1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5311 2.7500 1.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7592 2.5568 0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3013 1.1988 0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5428 0.4000 1.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1079 -0.9460 1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4812 -1.0748 1.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9418 -0.5239 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2537 -0.9689 -1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9420 -0.2086 -2.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3787 -0.5550 -3.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5369 -2.0160 -4.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9446 -2.2509 -5.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3865 3.1143 3.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7035 2.4686 4.1883 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4985 3.5148 5.2228 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6057 4.6229 5.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8362 4.2730 4.5163 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 2.5626 6.5112 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7552 1.1827 -4.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7233 3.0203 -4.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8121 2.0254 -3.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9119 1.1000 -1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7612 2.9330 -1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3196 2.7537 -4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5113 1.0070 -3.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2790 1.7686 -2.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2003 2.7733 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4836 0.7710 -0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3049 0.8078 -0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2113 -0.6874 -2.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6190 -2.4130 -2.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1353 -0.5567 -0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3789 -1.6865 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4635 -2.5601 0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7603 -4.5528 -0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7522 -2.4806 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -2.5005 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5706 -2.2815 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2218 -2.1208 2.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 -2.5447 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8924 -1.3037 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 -4.3838 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3926 -4.1459 -0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 -2.0599 -1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1153 -1.1200 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0031 -1.4616 1.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6194 -2.1281 0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9294 0.5826 0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 0.0044 -0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4141 1.3174 3.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9905 3.7679 1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 3.3261 3.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5073 0.6535 -0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 -0.7835 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7688 0.1446 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1566 0.2850 2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4412 2.6347 1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0163 2.5674 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6817 2.4973 2.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4160 3.8999 1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6016 3.2257 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5757 3.0090 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8021 0.6549 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3370 1.3965 0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2380 1.0033 2.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6241 0.2794 2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3820 -1.5444 0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0484 -1.5691 2.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1634 -0.6267 1.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8077 -2.1734 1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2610 0.5345 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0149 -1.0279 -0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4253 -2.0519 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1888 -0.7731 -1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0314 -0.4198 -2.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8431 0.8974 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2716 -0.3221 -3.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8616 0.0200 -4.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0371 -2.6880 -3.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6344 -2.2299 -4.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4817 -3.1145 -6.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0702 -1.3406 -6.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8699 -2.5065 -5.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1512 4.0864 3.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1108 3.3179 4.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.1605 5.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 1.6050 6.2334 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 42 43 1 0 24 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 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 1 10 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 1 25 82 1 0 25 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 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