HMDB0041735 RDKit 3D Formononetin 7-O-glucuronide 52 55 0 0 0 0 0 0 0 0999 V2000 -9.7207 0.3409 0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0141 -0.6204 0.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6346 -0.5577 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9563 0.4729 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5849 0.5226 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8902 -0.4187 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4414 -0.3355 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8646 -0.5239 -1.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 -0.4556 -1.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7365 -0.2101 -0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6189 -0.1550 -1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 0.1052 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8378 0.1492 -0.3714 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9492 0.3825 0.4421 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5289 1.5630 0.0344 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 1.5165 -0.4025 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9702 1.0243 -1.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 0.6964 -2.4534 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 0.8982 -2.4105 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6805 0.8356 0.6015 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5233 1.5024 1.8195 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2431 -0.5914 0.7979 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0774 -1.4000 0.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.8327 0.3752 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2909 -1.7716 1.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0315 0.3028 1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3427 0.2505 1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2092 -0.0072 0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5909 -0.0762 0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0761 0.0982 1.7287 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5621 -1.4458 -0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9472 -1.5020 -0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8016 0.1692 0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5286 1.3680 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4224 0.3167 1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5238 1.2032 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0479 1.3202 0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -0.7307 -2.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9973 -0.3136 -2.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 0.5504 1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 2.5902 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 -0.0301 -2.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7713 0.8863 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1026 0.9219 2.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4227 -0.8803 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9712 -0.9584 -0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7718 -1.3299 -0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -1.2449 2.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 0.5039 1.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7236 0.4058 2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0256 -2.1775 -1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4610 -2.3279 -1.2994 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 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 12 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 6 31 1 0 31 32 2 0 32 3 1 0 29 7 1 0 28 10 1 0 24 14 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 11 39 1 0 14 40 1 1 16 41 1 6 19 42 1 0 20 43 1 6 21 44 1 0 22 45 1 1 23 46 1 0 24 47 1 6 25 48 1 0 26 49 1 0 27 50 1 0 31 51 1 0 32 52 1 0 M END