HMDB0240517 RDKit 3D Formononetin 7-glucuronide 52 55 0 0 0 0 0 0 0 0999 V2000 7.9497 2.7178 -2.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5778 2.9758 -2.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 1.9621 -1.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1801 0.7145 -1.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3174 -0.2893 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9711 -0.0786 -0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -1.0724 -0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -2.3250 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4639 -3.2450 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 -4.3791 0.8232 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1406 -2.9013 0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -3.7777 0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -3.4181 1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5258 -2.1097 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8644 -1.7708 0.7531 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3598 -0.5284 0.4190 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1054 -0.0670 1.5339 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3532 1.2658 1.3766 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4150 1.6878 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 0.8290 3.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8992 2.9812 2.4102 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 1.7002 -0.0318 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5424 2.4367 -0.5394 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0007 0.6195 -0.9699 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3980 0.5568 -1.1755 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4621 -0.7304 -0.6439 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8436 -1.3509 -1.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -1.2482 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7988 -1.6206 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 -0.7626 -0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5088 1.1994 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 2.1848 -1.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1997 2.0453 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3776 2.2696 -1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5063 3.6637 -2.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2341 0.5096 -1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 -1.2614 -0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 -2.6389 0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 -4.7779 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9682 -4.0592 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6514 0.2241 0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4215 1.8036 1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8742 3.1950 2.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4748 2.4305 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3189 2.1078 -1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 0.8931 -1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8649 0.1077 -0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1931 -1.4125 -0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4715 -1.5751 -2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 -0.2295 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 1.3770 -0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0057 3.1712 -1.7671 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 9 11 1 0 11 12 2 0 12 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 3 1 0 30 7 1 0 29 11 1 0 26 16 1 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 5 37 1 0 8 38 1 0 12 39 1 0 13 40 1 0 16 41 1 6 18 42 1 1 21 43 1 0 22 44 1 1 23 45 1 0 24 46 1 6 25 47 1 0 26 48 1 1 27 49 1 0 28 50 1 0 31 51 1 0 32 52 1 0 M END