HMDB0029203 RDKit 3D hesperetin-7-O-glucuronide 55 58 0 0 0 0 0 0 0 0999 V2000 7.5176 -1.9063 -3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5114 -0.7945 -2.3525 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4068 -0.4689 -1.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2885 -1.2518 -1.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1967 -0.9158 -0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 0.1786 0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 0.4769 0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0685 1.8298 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9595 1.8656 2.4354 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 1.4871 1.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4607 1.8476 2.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 2.6086 3.7845 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7183 1.4795 2.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7759 0.7251 1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9588 0.3114 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2521 0.5210 0.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8278 -0.7106 1.2526 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -1.6063 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5913 -2.8090 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1158 -2.8763 1.7716 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7722 -3.9042 -0.2002 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4439 -1.0983 -1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1435 -2.0272 -2.0583 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9222 0.2637 -1.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4712 0.8159 -2.5062 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1498 1.1318 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4595 0.9752 0.3204 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5979 0.3597 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 0.7309 0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 0.3697 0.1592 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3486 0.9609 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4433 0.6280 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5584 1.4520 -0.6745 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3277 -1.7519 -3.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5534 -1.8974 -3.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6220 -2.8547 -2.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2324 -2.1257 -2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 -1.5485 -0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9533 -0.2713 1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9519 2.5935 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9637 1.9904 2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 2.8917 4.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 1.7919 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 1.1171 1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -1.9694 -0.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0435 -4.2343 -0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5412 -1.0281 -0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5804 -1.7238 -2.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8107 0.1779 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3652 1.8111 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8839 2.1550 -0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5164 1.3722 1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6293 -0.2387 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 1.8334 0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3767 1.2599 -1.2344 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 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 14 28 1 0 28 29 2 0 29 30 1 0 6 31 1 0 31 32 2 0 32 33 1 0 32 3 1 0 30 7 1 0 29 10 1 0 26 16 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 5 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 12 42 1 0 13 43 1 0 16 44 1 0 18 45 1 0 21 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 26 51 1 0 27 52 1 0 28 53 1 0 31 54 1 0 33 55 1 0 M END