HMDB0242652 RDKit 3D (2E,4E,6E,8E)-3,7-Dimethyl-9-(2-nonoxyphenyl)nona-2,4,6,8-tetraenoic acid 65 65 0 0 0 0 0 0 0 0999 V2000 -3.5072 2.4685 6.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6981 2.0595 5.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4981 1.1521 4.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9903 -0.2246 4.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6484 -0.2811 5.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1736 -1.7462 5.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 -2.4187 4.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2722 -1.6845 3.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -2.4002 1.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5441 -1.7816 0.8111 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5628 -2.3570 -0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -3.4808 -0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3767 -4.0647 -1.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -3.5051 -2.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1544 -2.3794 -2.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 -1.7877 -1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 -0.6306 -1.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7547 0.0078 -2.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 1.1641 -1.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5355 1.6394 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 1.7849 -2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 1.3723 -4.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 2.0471 -4.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1835 1.6784 -6.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3775 0.4625 -6.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8837 2.2882 -7.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6932 3.4341 -6.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8427 4.0115 -5.8939 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3964 3.9817 -8.0631 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5705 3.6019 6.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4417 2.0063 7.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5747 2.3355 5.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1894 3.0095 5.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4422 1.5522 6.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5128 1.0645 3.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8497 1.6788 3.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9219 -0.7668 3.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7339 -0.8392 5.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8661 0.3084 4.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7254 0.1159 6.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1605 -1.6505 5.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8646 -2.1930 6.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1809 -2.5873 3.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -3.4645 4.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2514 -1.6974 3.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 -0.6543 2.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0384 -3.4487 1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 -2.4464 1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -3.9064 0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9952 -4.9379 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6245 -3.9344 -3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7192 -1.9977 -3.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 -0.2217 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.3555 -3.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 1.8482 -0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0305 0.8531 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 2.5553 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 2.6548 -2.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8105 0.5362 -4.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 2.8798 -4.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 -0.3886 -6.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 0.2386 -7.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 0.6507 -6.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 1.8590 -8.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1552 4.9314 -8.3911 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 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 3 18 19 1 0 19 20 1 0 19 21 2 3 21 22 1 0 22 23 2 3 23 24 1 0 24 25 1 0 24 26 2 3 26 27 1 0 27 28 2 0 27 29 1 0 16 11 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 12 49 1 0 13 50 1 0 14 51 1 0 15 52 1 0 17 53 1 0 18 54 1 0 20 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 22 59 1 0 23 60 1 0 25 61 1 0 25 62 1 0 25 63 1 0 26 64 1 0 29 65 1 0 M END