HMDB0029247 RDKit 3D Delphinidin 3-(6''-malonyl-glucoside) 62 65 0 0 0 0 0 0 0 0999 V2000 9.2232 1.0720 -0.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1507 0.5113 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 0.2650 0.9126 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3446 0.0720 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1922 -0.7618 -1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3527 -1.9976 -0.9066 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9648 -0.2329 -0.8479 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8232 -0.9940 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7104 0.0260 -0.2968 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4806 -0.5327 0.0981 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 0.3451 -0.3709 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7679 0.0466 0.1266 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8836 -0.1842 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8798 -0.1420 -1.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0309 -0.3780 -2.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1202 -0.3581 -4.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9766 -0.0793 -4.8107 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3073 -0.6066 -4.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4364 -0.8807 -3.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6563 -1.1392 -4.6109 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3461 -0.8994 -2.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1454 -0.6490 -1.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1455 -0.6892 -0.6089 O 0 0 0 0 0 3 0 0 0 0 0 0 -3.0262 -0.4621 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1878 -0.5406 1.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1933 -0.5326 2.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -0.6016 3.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4384 -0.5919 4.7287 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7813 -0.6814 4.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0075 -0.7444 5.6966 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7787 -0.6894 3.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1187 -0.7709 3.8122 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5024 -0.6238 2.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9085 1.7549 0.0863 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5101 2.4583 -0.9393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8674 1.7083 1.2411 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3829 1.0204 2.3432 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1402 1.0471 0.7523 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0508 1.9639 0.2887 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5115 1.0254 1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9173 0.9936 -2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9595 -0.4222 -2.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1307 -1.3585 0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6045 -1.8444 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 0.5198 -1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5573 0.3340 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 0.0803 -2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 0.1199 -4.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3779 -0.5906 -5.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4608 -1.3411 -4.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2072 -1.1089 -1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1728 -0.4806 2.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 -0.6508 5.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9286 -0.7844 6.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4310 -0.8266 4.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3575 -0.6324 1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0118 2.2816 0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 3.4223 -0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1425 2.7415 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 0.5075 2.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5892 0.5533 1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0745 1.9337 -0.7029 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 1 0 27 29 2 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 2 0 11 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 9 1 0 24 13 1 0 33 25 1 0 22 15 1 0 3 40 1 0 4 41 1 0 4 42 1 0 8 43 1 0 8 44 1 0 9 45 1 6 11 46 1 6 14 47 1 0 17 48 1 0 18 49 1 0 20 50 1 0 21 51 1 0 26 52 1 0 28 53 1 0 30 54 1 0 32 55 1 0 33 56 1 0 34 57 1 1 35 58 1 0 36 59 1 1 37 60 1 0 38 61 1 1 39 62 1 0 M CHG 1 23 1 M END