HMDB0303812 RDKit 3D Delphinidin 3-(6"-acetylgalactoside) 59 62 0 0 0 0 0 0 0 0999 V2000 6.4996 2.6669 -1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7223 1.3596 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3017 0.3125 -0.6013 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4248 1.3296 -1.3325 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 0.4038 -1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 -0.2213 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.0752 -0.7103 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9268 -1.4388 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1858 -0.6287 0.1759 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 -0.8683 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 -2.1847 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2198 -2.4487 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6525 -3.7474 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7887 -4.8102 -0.7807 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0137 -3.9546 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8894 -2.9020 -1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2368 -3.1782 -1.3903 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4828 -1.6107 -0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 -1.3877 -0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7008 -0.1806 -0.4042 O 0 0 0 0 0 3 0 0 0 0 0 0 -2.4202 0.1195 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1465 1.5150 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9112 2.0063 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6616 3.3634 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6362 3.8244 0.8368 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6844 4.2563 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 5.6155 0.6829 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9698 3.8127 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9674 4.7687 0.1349 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1664 2.4785 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5138 -1.3587 1.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2858 -0.1409 2.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9693 -1.6720 1.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4897 -1.3056 2.9558 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7886 -0.9836 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -1.9507 -0.1646 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9955 2.7862 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8018 3.4889 -1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2099 2.6268 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8863 -0.5057 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6145 0.7609 -2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 0.6205 0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6588 -2.4935 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 -3.0001 -0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 -4.7827 -0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3166 -4.9810 -1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5648 -4.1095 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1568 -0.7716 -0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0306 1.3965 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8356 4.7927 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 6.3134 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9087 4.4199 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1604 2.1260 -0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 -2.1226 2.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 -0.2340 3.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1638 -2.7593 1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -0.3006 3.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 -0.2948 1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8165 -2.7605 -0.1775 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 0 8 43 1 0 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 0 32 55 1 0 33 56 1 0 34 57 1 0 35 58 1 0 36 59 1 0 M CHG 1 20 1 M END