HMDB0272972 RDKit 3D PGP(18:1(12Z)-O(9S,10R)/18:2(9Z,12Z)) 134134 0 0 0 0 0 0 0 0999 V2000 4.0532 -1.7332 5.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3594 -0.4366 5.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1325 -0.1841 4.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2704 -1.3121 3.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9848 -1.1085 2.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 -1.0619 1.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5628 -1.8977 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 -3.0381 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 -4.2453 0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1802 -5.2230 1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 -5.2233 1.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1293 -6.4889 1.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1348 -6.6106 2.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 -5.5262 1.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -5.8256 2.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5511 -5.1089 2.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6486 -3.6525 3.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 -2.8521 1.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9242 -3.3900 0.7644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3084 -1.4688 1.8442 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0476 -0.6591 0.7573 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8659 0.1894 0.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7405 0.9335 2.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 1.8980 2.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0438 2.0546 1.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 2.6907 3.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1654 4.0349 3.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7666 5.1140 2.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 6.4062 2.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9687 6.4226 1.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 6.4863 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9369 6.5257 -1.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7087 5.3535 -1.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3892 5.8536 -2.9238 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 5.1175 -1.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5253 3.7961 -2.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1227 2.6105 -1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 1.7191 -1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4219 1.7874 -1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8278 0.5479 -2.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1993 0.5989 -3.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5749 -0.6303 -4.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 -1.8912 -3.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 0.1369 0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2601 -0.6999 -0.1375 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6447 0.0474 -0.7167 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.6388 -1.0896 -1.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4108 1.0350 0.3948 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3837 0.9389 -2.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4453 0.7838 -3.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1313 1.6053 -4.2672 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9789 2.9199 -3.8848 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8289 1.1068 -4.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9323 -0.2288 -5.2585 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4236 -0.6767 -5.8842 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3784 0.3627 -5.6374 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 -2.1186 -5.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5833 -0.8902 -7.5647 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 -2.6161 5.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5529 -1.6713 6.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8552 -1.8963 5.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0139 0.3988 6.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 -0.3113 6.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1437 -0.1978 3.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5948 0.7640 4.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3086 -1.3658 4.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 -2.3025 3.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 -1.8028 1.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 -0.0890 2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.2519 1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 -1.7451 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 -3.0264 0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6324 -2.8961 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -4.3126 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8641 -6.1083 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 -4.3769 1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 -5.2967 2.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7486 -7.3991 1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9859 -6.5002 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 -6.5907 3.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6408 -7.6095 1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 -4.5610 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -5.6274 0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -6.9763 2.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8237 -5.7515 3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1506 -5.5729 3.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 -5.4132 1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6784 -3.3924 3.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -3.3805 3.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8288 -1.3326 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 -0.4803 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 0.8405 -0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2748 2.7131 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3718 2.1104 3.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0682 3.9933 2.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 4.3571 4.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 5.2821 3.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2907 4.8548 1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 7.2703 2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5746 6.5365 3.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5281 7.3719 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 5.5948 1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 5.7458 0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 7.4877 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2696 6.8290 -2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 7.4520 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9922 4.5389 -2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 5.7104 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 3.6624 -3.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 3.8866 -2.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 2.4872 -1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 0.8542 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8441 2.6687 -1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9392 1.6348 -0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9046 0.4380 -2.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4164 -0.3786 -1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5885 1.4933 -4.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1046 0.6692 -3.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 -0.6907 -4.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0604 -0.6040 -5.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2554 -2.7705 -4.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6894 -2.0736 -2.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.8438 -3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8911 0.7145 -0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 0.8777 1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9028 1.8097 0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6430 -0.2857 -3.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3326 1.2705 -2.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9381 1.5079 -5.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0461 3.1734 -3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4921 1.6899 -5.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0082 1.2249 -4.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6284 -2.7964 -5.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7073 -1.1625 -7.9592 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 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 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 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 21 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 35 33 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 6 22 91 1 0 22 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 48126 1 0 50127 1 0 50128 1 0 51129 1 6 52130 1 0 53131 1 0 53132 1 0 57133 1 0 58134 1 0 M END