HMDB0038004 RDKit 3D Delphinidin 3-(acetylglucoside) 59 62 0 0 0 0 0 0 0 0999 V2000 5.6845 3.0281 1.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3451 1.6674 2.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 1.2015 3.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4617 0.9133 1.2742 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0434 -0.3799 1.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0717 -0.8461 0.5382 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9722 -0.0040 0.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -0.4920 -0.5472 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1727 -0.0796 -0.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -0.7064 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3072 -2.1014 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 -2.8073 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4547 -4.1691 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 -4.8877 0.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6497 -4.8156 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8162 -4.0876 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0063 -4.7449 0.7883 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8138 -2.7137 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6185 -2.0489 0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6022 -0.7660 0.1232 O 0 0 0 0 0 3 0 0 0 0 0 0 -2.5057 -0.0303 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6206 1.4070 -0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 2.3134 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8419 3.6770 -0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7757 4.5567 -0.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1089 4.1972 -0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3269 5.5766 -0.4506 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1397 3.3185 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4189 3.8457 -0.0175 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9088 1.9653 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 0.0080 -1.8310 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5592 -0.9604 -2.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2797 0.1487 -1.6782 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5002 1.4216 -1.1256 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7972 -0.9319 -0.7849 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6392 -2.1548 -1.3996 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7584 3.2769 1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0107 3.7757 2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4836 3.1399 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9486 -1.0349 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6156 -0.4738 2.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7913 -1.8889 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 -1.5898 -0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3942 -2.6406 -0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3751 -4.6456 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6367 -5.9070 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3553 -4.9301 1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7388 -2.1563 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6279 1.9881 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9329 5.5398 -0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2625 5.9483 -0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2029 3.1989 0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 1.3186 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3905 0.9989 -2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3473 -1.8418 -2.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7009 0.0969 -2.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0924 1.9657 -1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -0.7685 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7903 -2.8893 -0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 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 26 28 1 0 28 29 1 0 28 30 2 0 8 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 6 1 0 21 10 1 0 30 22 1 0 19 12 1 0 1 37 1 0 1 38 1 0 1 39 1 0 5 40 1 0 5 41 1 0 6 42 1 1 8 43 1 6 11 44 1 0 14 45 1 0 15 46 1 0 17 47 1 0 18 48 1 0 23 49 1 0 25 50 1 0 27 51 1 0 29 52 1 0 30 53 1 0 31 54 1 6 32 55 1 0 33 56 1 6 34 57 1 0 35 58 1 1 36 59 1 0 M CHG 1 20 1 M END