HMDB0297071 RDKit 3D DG(8:0/20:4(5Z,8Z,11Z,14Z)-OH(20)/0:0) 89 88 0 0 0 0 0 0 0 0999 V2000 11.5503 0.8675 1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0938 0.4231 0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2474 1.6008 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7900 1.4646 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1924 1.1713 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4633 -0.1175 -1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 -0.1469 -2.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2179 -0.0691 -2.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9057 -0.8585 -1.1292 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2968 0.7885 -2.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 0.9030 -2.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 1.2686 -0.7740 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0540 2.6780 -0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 3.6050 -1.3493 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 0.3629 0.1886 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -0.4253 0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0824 -0.2973 0.7702 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 -1.3584 1.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8597 -2.2486 2.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2824 -3.0714 1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2199 -3.9943 1.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 -3.8991 1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 -2.9181 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0869 -3.5002 -0.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3437 -3.3657 -1.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2481 -2.5873 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 -3.4065 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6191 -3.0889 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1850 -1.9761 -0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4521 -0.9266 -1.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4347 0.3552 -1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2155 0.9227 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1787 1.9531 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0304 2.5795 0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9499 3.5768 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8520 4.2552 0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6932 5.1552 0.1397 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5063 1.1587 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2043 0.0136 0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7535 1.7637 0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1864 0.2372 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8627 -0.5086 1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6140 2.4390 0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5030 2.0380 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3874 0.7227 1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3404 2.4564 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 1.3314 -0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 1.9919 -1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4747 -0.3016 -1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -0.9500 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9387 0.6368 -3.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8045 -1.1465 -2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 1.5814 -2.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -0.1034 -2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5211 1.2157 -0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5594 2.9861 0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1402 2.7808 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 3.9613 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -1.9066 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4496 -0.7640 2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3525 -2.9404 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0994 -1.6950 3.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 -3.7851 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1767 -2.5258 0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 -4.7882 2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -4.6373 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0114 -2.0501 0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5456 -2.4211 -0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4574 -4.0818 -1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6982 -3.8089 -2.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6997 -2.3663 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -1.6062 -0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 -4.3533 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3749 -3.8331 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8938 -2.4186 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0208 -1.4737 -0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8298 -1.1714 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 1.0198 -1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5452 1.5591 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7880 0.2157 0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7724 1.5539 -1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5293 2.7581 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6765 1.7883 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3665 3.0711 1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2804 4.3543 -0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5356 3.0749 -1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1707 4.7832 1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3889 3.4604 1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6580 5.0086 0.3619 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 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 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 6 50 1 0 7 51 1 0 7 52 1 0 11 53 1 0 11 54 1 0 12 55 1 6 13 56 1 0 13 57 1 0 14 58 1 0 18 59 1 0 18 60 1 0 19 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 21 65 1 0 22 66 1 0 23 67 1 0 23 68 1 0 24 69 1 0 25 70 1 0 26 71 1 0 26 72 1 0 27 73 1 0 28 74 1 0 29 75 1 0 29 76 1 0 30 77 1 0 31 78 1 0 32 79 1 0 32 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 M END