HMDB0030519 RDKit 3D 1-Methyl-2-nonyl-4(1H)-quinolinone 48 49 0 0 0 0 0 0 0 0999 V2000 4.7546 2.8484 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 1.5568 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8115 0.3847 0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 -0.9053 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -0.8520 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 -2.2108 -0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1424 -2.3046 -1.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 -1.2735 -1.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5469 -1.4257 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6198 -0.4365 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2631 0.7768 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1684 1.7561 1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 2.8474 1.5459 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4891 1.5065 0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4855 2.4332 0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8078 2.2039 0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1632 1.0102 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 0.0593 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8663 0.3020 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -0.6316 -0.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3484 -1.8475 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7808 2.6356 1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 3.2815 -0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2664 3.5661 1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 1.4619 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 1.7264 -0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2921 0.5445 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5874 0.3166 1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 -1.7708 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 -1.0569 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3578 -0.7511 -1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 -0.0304 -0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -2.9389 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9539 -2.3968 0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 -3.3156 -1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4976 -2.3355 -2.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5131 -0.2706 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -1.3290 -2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2921 -1.2740 0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 -2.4772 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2143 0.9473 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1826 3.3633 1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5746 2.9629 0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1907 0.7645 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4629 -0.9059 -0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4756 -2.4397 -1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9017 -1.6337 -1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9702 -2.4424 -0.0388 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 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 10 1 0 19 14 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 11 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 M END