HMDB0008724 RDKit 3D PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0) 133132 0 0 0 0 0 0 0 0999 V2000 -6.9795 5.4291 3.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0993 4.9000 5.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5073 3.5795 5.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6891 2.5679 5.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2887 2.5933 4.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4366 2.1559 6.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6672 1.1191 5.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 0.2654 4.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9449 -1.1119 5.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1421 -2.1260 4.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 -1.9634 4.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2758 -2.3707 5.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1855 -3.2746 5.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2143 -4.0212 3.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 -5.4849 3.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 -6.3224 3.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 -5.9789 2.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 -6.4258 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8789 -7.0887 0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5216 -7.5585 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6582 -7.0095 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7986 -5.5468 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8051 -4.9950 -0.8102 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0561 -4.6483 0.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1765 -3.2596 0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1578 -2.6317 -0.9895 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5610 -1.1585 -0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7809 -1.2063 -0.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4674 0.2926 0.1296 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9281 0.1776 0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 1.2238 -1.2935 O 0 0 0 0 0 1 0 0 0 0 0 0 1.6641 1.0446 1.3998 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3398 2.3511 1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 3.0373 2.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 3.0995 3.4605 N 0 0 0 0 0 4 0 0 0 0 0 0 1.5704 4.4992 3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 2.4945 4.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 2.4924 3.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0689 -2.7223 -1.6913 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 -3.1080 -3.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 -3.3626 -3.5518 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3937 -3.2142 -3.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -2.9266 -5.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5059 -1.4828 -5.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0909 -1.0796 -6.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5486 0.3729 -6.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 1.3163 -6.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2767 2.7438 -5.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7906 3.5781 -7.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5126 3.2545 -7.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 3.2461 -6.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9357 2.9282 -7.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 1.5802 -8.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 1.3573 -8.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 0.0063 -9.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9654 5.7497 4.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4499 6.2946 3.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0350 4.6415 3.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0849 4.9376 4.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1501 5.5978 5.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5386 3.4664 5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0508 1.6050 5.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2935 1.8935 4.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9156 3.5857 4.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4527 2.7221 7.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0606 0.8439 6.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 0.3678 4.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 0.6100 3.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 -1.2389 5.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 -3.1125 5.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8814 -2.5960 3.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -0.9643 3.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3008 -1.8416 6.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9231 -3.4656 5.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3695 -3.7292 3.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1092 -3.7088 3.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 -5.8270 4.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7947 -7.3924 3.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0269 -6.5066 3.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -4.9144 3.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6284 -6.1699 1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3391 -7.3634 -0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 -7.3554 1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -8.6737 0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9994 -7.4765 -1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3807 -7.2762 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 -2.7258 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2246 -3.1288 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9491 -3.0295 -1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1572 -0.6152 -0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6496 -0.7324 -1.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 2.9009 0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 2.3891 0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3078 2.4454 2.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2871 4.0556 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1991 4.6029 4.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 4.9991 4.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 5.0724 2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 2.9786 5.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 1.4364 4.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 2.5346 4.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2999 2.8116 2.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2388 2.8288 4.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6122 1.3914 3.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1329 -2.4497 -3.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 -4.2327 -3.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 -3.6133 -5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 -3.0091 -5.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6648 -1.4100 -4.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 -0.8769 -4.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2412 -1.6866 -6.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9007 -1.1178 -7.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3244 0.3445 -5.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 0.5335 -7.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 1.2838 -6.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0606 0.9598 -5.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 2.7912 -5.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 3.2924 -5.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 4.6804 -6.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 3.5501 -7.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 2.4261 -8.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 4.1995 -8.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 2.4695 -5.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 4.2051 -6.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 2.8987 -6.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 3.7314 -8.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.7666 -7.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 1.5192 -8.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0386 1.4323 -7.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 2.1689 -9.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3174 -0.0908 -9.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -0.0140 -10.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2672 -0.8042 -8.5692 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 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 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 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 25 87 1 0 25 88 1 0 26 89 1 6 27 90 1 0 27 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 36 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 38104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M CHG 2 31 -1 35 1 M END