HMDB0013689 RDKit 3D Peonidin-3-glucoside 56 59 0 0 0 0 0 0 0 0999 V2000 5.3541 0.1351 -3.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4903 -0.9492 -3.4193 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3067 -1.1356 -2.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9145 -0.2808 -1.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 -0.4390 -0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4121 0.4912 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3969 1.3464 0.4138 O 0 0 0 0 0 3 0 0 0 0 0 0 2.3024 2.2477 1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 3.1194 1.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2327 4.0819 2.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2913 4.9385 2.9177 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 4.1966 3.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 3.3430 3.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 3.4565 3.8062 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1303 2.3920 2.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1224 1.5085 1.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2194 0.5427 0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 -0.2801 0.4942 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0653 -0.4719 0.9583 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3256 -1.7567 1.2435 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1943 -2.5215 0.5649 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4754 -3.1264 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3638 -3.9382 -1.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4361 -1.8784 0.0633 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5683 -2.5804 0.3823 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4562 -0.4429 0.6178 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4888 0.2187 -0.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1459 0.1466 0.1119 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1357 1.5312 0.2575 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9791 -1.5292 -1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3795 -2.4000 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 -2.2282 -3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -3.0930 -4.0722 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3747 -0.0672 -3.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4722 0.3001 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 1.0494 -3.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5558 0.5739 -1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2629 3.0678 1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3077 5.8088 2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0045 4.9591 4.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9658 2.9406 3.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7996 1.5616 2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1376 0.1105 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -3.4178 1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1535 -2.3422 -1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5962 -3.7277 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8256 -3.4309 -2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3812 -1.7408 -1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4166 -3.1433 1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5532 -0.4472 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3291 -0.2977 -0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0843 -0.1806 -0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3639 1.7216 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 -1.7233 -0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 -3.2532 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7866 -2.9663 -4.5868 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 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 5 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 32 3 1 0 17 6 1 0 28 19 1 0 15 8 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 9 38 1 0 11 39 1 0 12 40 1 0 14 41 1 0 16 42 1 0 19 43 1 1 21 44 1 1 22 45 1 0 22 46 1 0 23 47 1 0 24 48 1 6 25 49 1 0 26 50 1 1 27 51 1 0 28 52 1 6 29 53 1 0 30 54 1 0 31 55 1 0 33 56 1 0 M CHG 1 7 1 M END