HMDB0301661 RDKit 3D Peonidin 3-(6''-acetyl-galactoside) 61 64 0 0 0 0 0 0 0 0999 V2000 -4.9084 0.9489 4.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2892 -0.3233 4.2217 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 -0.6806 3.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2469 0.1195 2.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4228 -0.2784 1.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3032 0.5796 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3569 1.3730 -0.4314 O 0 0 0 0 0 3 0 0 0 0 0 0 -3.3425 2.1786 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4528 2.9832 -1.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4713 3.8427 -2.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5846 4.6620 -3.0315 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4086 3.9642 -3.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3058 3.1780 -3.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2291 3.2759 -4.2472 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 2.2905 -2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1869 1.5160 -2.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 0.6178 -0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 -0.0543 -0.8078 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9501 -0.7475 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 0.0332 -0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -0.6511 0.2458 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3811 0.1195 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -0.4832 0.8097 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 0.1105 0.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8644 -0.4747 1.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8278 1.1726 0.1261 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1947 -2.0979 -0.0385 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5259 -2.4590 -0.3649 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3224 -2.6663 -1.0879 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0590 -3.3352 -2.0982 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -1.7090 -1.7552 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2652 -2.3666 -2.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8576 -1.5006 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0681 -2.3490 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8774 -1.9290 3.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 -2.8042 4.2477 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1324 1.7034 4.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7478 0.9916 4.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3697 1.2051 3.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7247 1.1112 2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 2.9120 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5651 5.5873 -2.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4607 4.6593 -4.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3673 2.8067 -4.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3168 1.5494 -2.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9653 -1.3770 0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 -0.5050 1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 0.2451 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 1.1473 0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7879 0.0582 1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9118 -1.5380 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7460 -0.4477 2.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0103 -2.6931 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5672 -3.4416 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 -3.4911 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -4.2552 -1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8865 -1.1048 -2.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2863 -3.3376 -2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2486 -1.9272 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 -3.3371 2.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 -2.5768 5.0368 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 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 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 24 26 2 0 21 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 5 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 35 3 1 0 17 6 1 0 31 19 1 0 15 8 1 0 1 37 1 0 1 38 1 0 1 39 1 0 4 40 1 0 9 41 1 0 11 42 1 0 12 43 1 0 14 44 1 0 16 45 1 0 19 46 1 0 21 47 1 1 22 48 1 0 22 49 1 0 25 50 1 0 25 51 1 0 25 52 1 0 27 53 1 1 28 54 1 0 29 55 1 1 30 56 1 0 31 57 1 6 32 58 1 0 33 59 1 0 34 60 1 0 36 61 1 0 M CHG 1 7 1 M END