HMDB0041684 RDKit 3D 4'-O-Methyldelphinidin 3-O-beta-D-glucoside 57 60 0 0 0 0 0 0 0 0999 V2000 5.6815 3.6892 1.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5349 3.6074 2.4404 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7107 2.5002 2.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 2.6996 1.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3463 3.9668 0.7878 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 1.6678 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9582 0.4117 1.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1543 -0.7614 1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 -1.9486 1.5951 O 0 0 0 0 0 3 0 0 0 0 0 0 0.9593 -3.0704 1.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5093 -4.2539 1.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 -5.4196 1.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3681 -6.6242 2.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3265 -5.4666 0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8756 -4.2687 0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0074 -4.2661 -0.2954 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -3.0945 0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 -1.8736 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 -0.6782 0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4892 0.4479 -0.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6718 0.7200 -0.7661 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5250 0.2675 -2.1241 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8686 0.0293 -2.5191 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8101 -0.8887 -3.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0795 -1.2016 -4.1589 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4531 1.3825 -2.8219 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7571 1.2475 -3.2879 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 2.2148 -1.5835 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7585 3.5427 -1.8647 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 2.1210 -0.8660 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2908 2.7491 0.3756 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 0.2262 2.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 1.2456 2.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0144 1.0016 3.4784 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0312 2.6696 1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5381 4.1896 2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3688 4.2165 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 4.7079 1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 1.9038 0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 -4.1686 2.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2207 -6.5913 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8485 -6.3775 0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 -3.6265 -0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 -1.8955 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 0.0667 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3724 -0.4172 -1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1963 -0.4141 -4.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2775 -1.8102 -3.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6846 -1.2115 -3.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8475 1.8879 -3.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0303 2.1795 -3.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2179 1.8408 -0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7687 3.5949 -1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3353 2.7032 -1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8288 3.6322 0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2818 -0.7431 2.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6349 1.7407 3.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 7 32 1 0 32 33 2 0 33 34 1 0 33 3 1 0 19 8 1 0 30 21 1 0 17 10 1 0 1 35 1 0 1 36 1 0 1 37 1 0 5 38 1 0 6 39 1 0 11 40 1 0 13 41 1 0 14 42 1 0 16 43 1 0 18 44 1 0 21 45 1 1 23 46 1 1 24 47 1 0 24 48 1 0 25 49 1 0 26 50 1 6 27 51 1 0 28 52 1 1 29 53 1 0 30 54 1 6 31 55 1 0 32 56 1 0 34 57 1 0 M CHG 1 9 1 M END