HMDB0029493 RDKit 3D Formononetin 7-(6''-malonylglucoside) 61 64 0 0 0 0 0 0 0 0999 V2000 -10.9257 0.6722 -1.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3394 1.0994 -0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9681 0.9495 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3339 1.3515 0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9727 1.2191 0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1879 0.6738 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7521 0.5064 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8724 0.8485 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 0.6876 -0.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 0.2003 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6473 0.0382 0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0706 -0.4709 1.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 -0.6380 1.5913 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -0.3464 0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 0.6189 1.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 0.3385 0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 1.4871 0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6681 1.1349 0.4359 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4533 0.1417 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0266 -0.5245 1.9359 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8197 -0.1737 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1330 0.7449 -0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3401 1.6454 -1.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3494 0.6058 -1.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4548 -0.0801 -0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 0.0688 -1.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0156 -1.5510 -0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5482 -1.9646 -1.9222 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0176 -1.6753 0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 -2.5552 0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8978 -0.8354 2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2651 -0.6893 2.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 -0.1760 1.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1984 -0.0096 1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9691 -0.3315 2.0492 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8063 0.2735 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1730 0.4068 -1.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6314 -0.4096 -2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0432 0.6844 -1.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5488 1.2437 -2.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9672 1.7774 1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4999 1.5401 1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2946 1.2536 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0567 0.3383 -0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9195 0.0777 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8241 -0.5183 1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4943 1.7742 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0194 2.3531 0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7559 -1.2330 0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5627 -0.1798 1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8713 -0.2776 -1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 0.4754 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6204 0.8347 -1.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9505 -2.1115 -0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 -1.1770 -2.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4446 -2.0130 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -3.2338 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4576 -1.2435 3.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9087 -0.9728 3.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2628 -0.1645 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6485 0.0889 -2.4412 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 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 16 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 12 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 6 36 1 0 36 37 2 0 37 3 1 0 34 7 1 0 33 10 1 0 29 14 1 0 1 38 1 0 1 39 1 0 1 40 1 0 4 41 1 0 5 42 1 0 8 43 1 0 11 44 1 0 14 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 21 49 1 0 21 50 1 0 24 51 1 0 25 52 1 0 26 53 1 0 27 54 1 0 28 55 1 0 29 56 1 0 30 57 1 0 31 58 1 0 32 59 1 0 36 60 1 0 37 61 1 0 M END