HMDB0037974 RDKit 3D Cyanidin 3-(6''-malonylglucoside) 61 64 0 0 0 0 0 0 0 0999 V2000 7.1267 -2.3732 1.2897 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5999 -2.0624 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9498 -2.2305 -0.0489 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6845 -1.5304 -0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2829 -1.4675 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9331 -1.8297 0.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2804 -0.9813 -1.2146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 -0.9183 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -0.3710 -1.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -0.2554 -1.6122 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4464 0.4816 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 0.5246 -0.3025 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7459 -0.0311 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1847 -0.8454 1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 -1.4031 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 -2.1965 3.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1938 -2.5157 3.6953 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3979 -2.7486 4.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 -2.4873 4.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6402 -3.0351 5.3156 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -1.6740 3.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3749 -1.1076 2.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 -0.3511 1.4838 O 0 0 0 0 0 3 0 0 0 0 0 0 -3.0878 0.2289 0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 1.0557 -0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1489 1.2350 -0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8855 1.9838 -1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2558 2.6193 -2.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 3.3856 -3.1755 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8939 2.4715 -2.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2494 3.1028 -3.4564 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 1.6962 -1.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0737 1.8567 -0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 2.1512 0.6971 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9062 2.1317 -1.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.7513 -2.7355 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 0.9745 -2.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7209 1.0849 -3.6327 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 -2.6502 0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0149 -0.5381 -1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6867 -2.2013 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8862 -0.3149 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -1.9476 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2148 -1.0643 -2.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9191 -0.0604 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1329 -1.0382 1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5523 -2.1985 3.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 -3.3811 5.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0724 -3.9275 5.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2631 -1.4807 3.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6652 0.7454 0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 2.1022 -1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9816 3.4760 -3.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7521 3.6685 -4.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 1.6191 -1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2121 2.5898 -0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 3.0750 0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6677 2.9077 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 2.0440 -3.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7693 0.9991 -1.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1414 0.2558 -3.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 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 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 2 0 11 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 9 1 0 24 13 1 0 32 25 1 0 22 15 1 0 3 39 1 0 4 40 1 0 4 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 11 45 1 0 14 46 1 0 17 47 1 0 18 48 1 0 20 49 1 0 21 50 1 0 26 51 1 0 27 52 1 0 29 53 1 0 31 54 1 0 32 55 1 0 33 56 1 0 34 57 1 0 35 58 1 0 36 59 1 0 37 60 1 0 38 61 1 0 M CHG 1 23 1 M END