HMDB0007898 RDKit 3D PC(14:0/P-18:1(9Z)) 127126 0 0 0 0 0 0 0 0999 V2000 -5.2952 -0.1623 -4.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4738 0.5600 -4.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9816 -0.0950 -2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9705 -0.1746 -1.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 1.1432 -1.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5385 2.0266 -0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 3.3511 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9812 3.2413 0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5452 4.5968 1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3435 5.0984 1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1813 4.3634 0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0643 4.2347 1.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 3.4512 1.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2456 3.2484 2.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 2.5022 3.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 2.3233 4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 1.6138 5.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5567 0.4248 5.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3449 -0.0513 4.6085 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2252 -1.1290 4.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4443 -2.3298 5.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4482 -2.7264 4.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 -3.8339 4.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 -4.4071 5.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 -4.3697 3.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 -4.6231 2.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -3.4199 1.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2925 -2.3701 1.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6309 -1.1556 0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9074 -1.4824 -0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 -0.1820 -1.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4759 -0.5102 -2.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 0.7060 -3.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 1.4456 -3.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 2.6654 -3.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 3.6922 -4.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 4.8864 -4.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0021 -1.4671 3.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8649 -2.5415 3.7882 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7255 -2.9593 2.4122 P 0 0 0 0 0 5 0 0 0 0 0 0 8.0676 -3.5454 2.8084 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0646 -1.5577 1.4903 O 0 0 0 0 0 1 0 0 0 0 0 0 5.8773 -4.0027 1.4107 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 -4.8830 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9284 -5.8175 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 -5.1528 -1.1794 N 0 0 0 0 0 4 0 0 0 0 0 0 5.9424 -4.7057 -2.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3763 -4.0569 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2061 -6.1389 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 -1.1600 -4.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3896 0.4699 -4.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3901 -0.3033 -5.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2942 0.5205 -4.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2456 1.6304 -3.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3575 -1.1044 -2.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8357 0.5112 -2.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 -0.6466 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1259 -0.8671 -1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8193 1.6757 -1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7625 0.9039 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2668 2.2325 -1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0965 1.5539 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6429 3.9403 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8968 3.9202 0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1624 2.6445 0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3861 2.6689 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3193 5.2999 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 6.1420 1.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 4.9671 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 3.3542 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7411 5.2654 1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 3.7851 2.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4196 3.9881 0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 2.4310 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 4.1845 2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 2.5903 1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 1.4943 3.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1728 3.0802 3.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0099 1.8992 3.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 3.3650 4.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3495 2.0418 6.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -0.1120 6.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 -0.8480 5.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1238 -3.1909 5.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -2.1245 6.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -3.7717 3.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 -5.3725 4.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 -5.3245 2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 -5.1776 1.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 -3.0413 1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5539 -3.7360 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 -2.7891 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1388 -2.0430 2.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5127 -0.5997 1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -0.4823 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0206 -1.9794 -1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7526 -2.1628 -0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1851 0.1897 -0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4089 0.5421 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6217 -1.0892 -3.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3745 -1.1734 -2.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9971 0.3729 -4.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 1.3959 -3.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8719 0.7835 -3.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7963 1.7815 -2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 2.4448 -5.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1677 3.1631 -3.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9912 4.0969 -2.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2845 3.2282 -4.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 5.6553 -4.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6076 5.2466 -4.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 4.5368 -5.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2502 -1.7951 2.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 -0.5883 3.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5113 -4.3584 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1871 -5.5246 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2631 -6.4467 0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6642 -6.5132 -0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -3.6495 -2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 -4.6803 -3.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7901 -5.3790 -2.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9681 -3.1451 -0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 -4.3673 0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 -3.8164 -1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7316 -7.0028 -2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5064 -5.6396 -2.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6085 -6.4782 -0.8354 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 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 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 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 20 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 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 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 47119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 49127 1 0 M CHG 2 42 -1 46 1 M END