HMDB0030628 RDKit 3D Rubraflavone A 56 58 0 0 0 0 0 0 0 0999 V2000 5.8455 -0.6753 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8338 0.6875 -0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9869 1.1787 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7977 1.4734 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6446 0.9969 0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3596 1.0057 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2765 0.4885 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0469 1.2478 1.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 -0.5964 0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4788 -1.1666 1.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 -1.3493 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 -0.3667 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 0.9542 0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4605 2.0870 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5483 3.3741 0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 3.6132 1.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8436 4.9065 2.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 2.5154 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7719 1.2083 2.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9061 0.1689 2.9324 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4922 -0.6346 -0.8389 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5815 -1.7814 -1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5676 -2.0118 -2.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -3.2055 -3.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6806 -3.4179 -4.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 -4.2518 -2.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8508 -4.0303 -1.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7194 -2.8226 -1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 -2.6128 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9293 -3.5275 0.0228 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 -0.5685 1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -1.2106 -0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9717 -1.2961 -0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 2.2436 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9254 0.6034 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8357 1.1158 -2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7851 2.5090 -0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8483 -0.0230 0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.7105 1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 0.3730 -1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0953 2.0262 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0164 1.3490 2.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5538 0.6248 2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 2.2255 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 -1.1052 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 -2.1726 1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6364 -0.5627 2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 1.8960 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4656 4.2445 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7661 5.7209 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0189 2.6698 3.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8937 -0.8022 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2539 -1.2126 -2.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5596 -3.7934 -3.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9222 -5.1956 -3.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1398 -4.8253 -1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 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 16 18 1 0 18 19 2 0 19 20 1 0 12 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 29 11 1 0 19 13 1 0 28 22 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 8 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 14 48 1 0 15 49 1 0 17 50 1 0 18 51 1 0 20 52 1 0 23 53 1 0 25 54 1 0 26 55 1 0 27 56 1 0 M END