HMDB0007390 RDKit 3D DG(20:1(11Z)/18:0/0:0) 124123 0 0 0 0 0 0 0 0999 V2000 -16.6009 -1.5888 -2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6313 -1.0364 -3.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6575 -0.0706 -2.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7341 0.4345 -3.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6839 1.4068 -3.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5602 1.0842 -2.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8591 0.6406 -0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5047 0.4890 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5997 -0.4392 -0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1567 -1.5586 -0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5000 -2.0304 1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4641 -2.2476 2.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6464 -1.0706 2.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7469 -0.4792 1.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9789 0.7335 1.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9546 0.7643 2.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3372 0.5077 4.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2576 0.7267 5.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -0.0682 5.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1711 0.1134 4.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 -0.8911 3.3674 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6619 1.3190 3.7064 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8199 1.6285 2.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 0.9060 2.7858 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0655 1.3280 4.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3223 2.6940 4.1867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 1.2209 1.8467 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1768 0.4529 0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9735 -0.7893 1.0175 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1949 1.0181 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 -0.0512 -0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 0.4622 -1.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 1.2174 -1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0536 1.7437 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1707 2.4887 -1.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0025 1.7482 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6922 0.5301 -0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6313 0.8042 -2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2635 -0.4792 -2.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0540 -1.2024 -1.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5932 -2.4492 -2.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5356 -2.2937 -3.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9263 -1.9376 -2.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4435 -0.8720 -2.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4521 -1.1109 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9501 0.1284 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8818 -0.8257 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4748 -2.0221 -2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0604 -2.3898 -1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1445 -0.4194 -3.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0093 -1.8129 -3.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2942 -0.5494 -1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3505 0.7575 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2288 -0.4458 -3.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3914 0.8374 -4.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1850 2.3783 -2.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2574 1.7534 -4.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9731 0.2160 -2.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8092 1.9460 -2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4756 1.3012 -0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3007 -0.3832 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0587 1.5279 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6684 0.3854 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2301 -0.2400 -1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4601 -2.1954 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3064 -1.4119 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9736 -3.0789 0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9798 -2.6973 3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7493 -3.0920 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3337 -0.2593 2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1011 -1.4771 3.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2272 -0.3907 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9544 -1.3071 1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6973 1.6164 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4381 1.0241 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3529 1.7256 2.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1914 -0.0412 2.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5796 -0.5969 4.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2365 1.0974 4.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6903 0.5879 6.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0014 1.8290 5.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3928 0.0402 6.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3283 -1.1584 5.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5947 2.7292 2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 1.3754 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3553 -0.2024 2.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0593 0.8445 4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4011 0.9778 4.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0291 2.9023 4.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9423 1.6074 0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 1.7348 -0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3732 -0.7503 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1372 -0.6158 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 -0.4573 -2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4621 1.0655 -2.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5770 0.4305 -0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6446 1.9589 -0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4571 0.9328 -2.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 2.4305 -2.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8078 2.9084 -2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7674 3.3882 -0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7712 2.4559 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3761 1.4661 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2773 0.1184 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9505 -0.2546 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1708 1.3248 -2.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4794 1.4654 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5706 -1.1903 -2.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0462 -0.1952 -3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8269 -0.4937 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4120 -1.4633 -0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7119 -3.0614 -2.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9849 -3.1586 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5704 -3.3242 -3.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0564 -1.6838 -4.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4085 -1.7177 -4.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4775 -2.9100 -2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5049 -0.5706 -2.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8578 0.0761 -2.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5591 -1.5386 -0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2632 -1.9193 -0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0617 0.6169 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4173 0.8290 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6102 -0.1883 0.9078 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 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 2 0 28 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 43 44 1 0 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 1 25 87 1 0 25 88 1 0 26 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 46124 1 0 M END