HMDB0266675 RDKit 3D PA(8:0/18:3(10,12,15)-OH(9)) 90 89 0 0 0 0 0 0 0 0999 V2000 12.3332 -1.8366 0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8353 -0.9082 1.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6956 -0.1074 1.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7388 1.2165 1.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6481 2.0550 0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5746 1.1896 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2065 1.2375 -1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2103 0.4477 -1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3297 -0.2358 -2.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3614 -0.9886 -2.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6362 -2.4131 -2.6983 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -0.8903 -2.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 -1.2778 -0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3831 -1.3843 -0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 -0.1316 -0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 1.0968 0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8537 0.9906 1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 0.5244 1.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 1.3700 1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4101 2.5761 1.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8684 0.9120 1.3348 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0442 1.5516 0.8469 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1486 1.4025 1.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3258 1.9752 1.5326 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 1.7420 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2652 0.7446 -0.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5231 2.6826 0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6028 2.2174 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1469 0.8987 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2396 0.4099 -0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8106 -0.9430 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7471 -1.9952 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2539 -3.3563 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3385 0.7505 -0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5386 -0.5347 -0.0492 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8657 -1.6585 -1.2186 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9928 -2.9084 -0.9768 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4843 -2.1077 -1.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3156 -1.0371 -2.7209 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7241 -2.7376 1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1213 -1.3767 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4742 -2.1772 0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4263 -1.5183 2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6260 -0.2519 2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8371 -0.6228 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6395 1.6850 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3128 2.7595 1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0908 2.6507 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 0.4949 0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7986 1.9743 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4986 0.9265 -2.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 -0.8073 -0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3079 -0.7875 -3.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7403 -2.7977 -2.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6724 0.1977 -2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -1.5008 -2.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4649 -2.1440 -0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 -0.3862 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3463 -1.7625 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -2.2163 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5641 -0.3547 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7769 0.1479 -1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1277 1.3236 -0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4462 1.9466 -0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9731 2.0532 1.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6744 0.4189 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 0.4912 3.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3849 -0.5496 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 2.5874 0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7902 1.7895 2.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2906 0.2724 2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9541 2.8077 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1052 3.6736 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3787 3.0012 -0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2168 2.0849 -1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6336 1.1687 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4065 0.1621 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0385 1.1578 -0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8057 0.3161 -1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6850 -1.1656 -0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1779 -0.8555 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8680 -1.7078 0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4012 -2.1040 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4165 -4.0352 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9030 -3.2897 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7886 -3.8219 -0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3233 0.7807 -1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0094 1.2255 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8968 -1.6791 -2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1428 -0.7244 -3.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 22 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 36 39 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 9 52 1 0 10 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 16 63 1 0 16 64 1 0 17 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 22 69 1 6 23 70 1 0 23 71 1 0 27 72 1 0 27 73 1 0 28 74 1 0 28 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 30 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 38 89 1 0 39 90 1 0 M END