HMDB0041752 RDKit 3D Isopeonidin 3-glucoside 56 59 0 0 0 0 0 0 0 0999 V2000 -5.3942 4.3640 -1.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9936 4.2179 -1.9334 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 3.1022 -1.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1679 2.1282 -0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 1.0112 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2005 0.7994 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6824 -0.4132 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5851 -1.2523 0.8791 O 0 0 0 0 0 3 0 0 0 0 0 0 -2.2765 -2.3820 1.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2529 -3.2012 1.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9706 -4.3944 2.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0076 -5.2019 3.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6563 -4.8064 2.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6571 -4.0001 2.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6387 -4.4160 2.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -2.8101 1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 -1.9515 1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3633 -0.7496 0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 0.0530 -0.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9685 -0.0465 -0.0997 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6008 0.9906 0.5872 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 0.8788 0.5979 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6628 2.1579 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3445 3.2166 1.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5326 -0.2572 -0.1664 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6169 -1.3717 0.6678 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -0.5662 -1.4689 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6745 -0.2586 -2.5695 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 0.0619 -1.5302 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6788 -0.5495 -2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4459 1.7836 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 2.9225 -1.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 3.8804 -1.9577 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8178 3.5454 -2.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7925 4.2780 -0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6906 5.3639 -2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2453 2.2660 -0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2593 0.2858 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2861 -2.8708 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3851 -5.8822 2.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4582 -5.7588 3.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 -3.9184 2.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0021 -2.2232 1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3351 -0.9765 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2636 0.7352 1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4218 2.3919 -0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 2.0196 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9384 3.9276 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 0.0076 -0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5938 -1.1245 1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 -1.6847 -1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 -0.9934 -2.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6065 1.1275 -1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0856 0.1267 -2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 1.7189 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6247 4.6986 -2.3645 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 2 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 22 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 6 31 1 0 31 32 2 0 32 33 1 0 32 3 1 0 18 7 1 0 29 20 1 0 16 9 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 5 38 1 0 10 39 1 0 12 40 1 0 13 41 1 0 15 42 1 0 17 43 1 0 20 44 1 1 22 45 1 1 23 46 1 0 23 47 1 0 24 48 1 0 25 49 1 6 26 50 1 0 27 51 1 1 28 52 1 0 29 53 1 6 30 54 1 0 31 55 1 0 33 56 1 0 M CHG 1 8 1 M END